benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C387H389N84O33S7+ — CID 160684583

IUPACbenzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCC=C1.C1=CN=CC1.C1=NN=CC1.C1CCOC1.C1CCOCC1.O[n+]1ccccc1.c1cc2[nH]ccc2cn1.c1cc2c(cn1)CCCO2.c1cc2c(cn1)CCO2.c1cc2c(cn1)OCC2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)COC2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccccc1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn2ccnc2cn1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCO2.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnn2cccc2c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1n[nH]c2c1CCCO2.c1ncc2c(n1)CCCO2.c1ncc2c(n1)OCCC2.c1ncon1.c1ncsn1.c1nncc2c1CCCO2.c1nnco1.c1nncs1.c1noc2c1CCCO2.c1noc2c1OCCC2
InChIInChI=1S/C10H8.2C9H7N.2C9H10O.4C8H9NO.2C8H7N.2C8H8O.C8H6O.6C7H8N2O.8C7H6N2.4C7H7NO.C7H5NO.2C7H5NS.4C6H5N3.C6H8N2O.2C6H7NO2.C6H6.C5H6NO.C5H5N.C5H10O.C5H6.3C4H4N2.C4H5N.C4H8O.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-4-3-8(7)10-5-1;1-2-7-3-4-9-6-8(7)10-5-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-7(10-3-1)4-8-5-9-6;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-5-4-7-8-6(5)9-3-1;1-2-5-6(8-3-1)4-7-9-5;1-2-5-4-7-9-6(5)8-3-1;1-2-4-6-5-3-1;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*3-4,6H,1-2,5H2;1-7H;1-6,9H;2*1-4H,5-6H2;1-6H;3*3-4H,1-2,5H2;3*4-5H,1-3H2;2*1-5,9H;1-6H;1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);2*1,3,5H,2,4H2;2*1-2,4H,3,5H2;7*1-5H;4H,1-3H2,(H,7,8);2*4H,1-3H2;1-6H;1-5,7H;1-5H;1-5H2;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-4H2;2*1-4H;2-3H,1H2;1-3H,(H,4,5);4*1-3H;4*1-2H/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;
InChIKeyROPAXYPIAYMJKB-UHFFFAOYSA-N
MW6969.39 g/mol
LogP77.18
Rot. Bonds

About benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 160684583) has the molecular formula C387H389N84O33S7+ and a molecular weight of 6969.39 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Namebenzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID160684583
Molecular FormulaC387H389N84O33S7+
Molecular Weight6969.39 g/mol
Exact Mass6963.94
IUPAC Namebenzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCC=C1.C1=CN=CC1.C1=NN=CC1.C1CCOC1.C1CCOCC1.O[n+]1ccccc1.c1cc2[nH]ccc2cn1.c1cc2c(cn1)CCCO2.c1cc2c(cn1)CCO2.c1cc2c(cn1)OCC2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)COC2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccccc1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn2ccnc2cn1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCO2.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnn2cccc2c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1n[nH]c2c1CCCO2.c1ncc2c(n1)CCCO2.c1ncc2c(n1)OCCC2.c1ncon1.c1ncsn1.c1nncc2c1CCCO2.c1nnco1.c1nncs1.c1noc2c1CCCO2.c1noc2c1OCCC2
InChIInChI=1S/C10H8.2C9H7N.2C9H10O.4C8H9NO.2C8H7N.2C8H8O.C8H6O.6C7H8N2O.8C7H6N2.4C7H7NO.C7H5NO.2C7H5NS.4C6H5N3.C6H8N2O.2C6H7NO2.C6H6.C5H6NO.C5H5N.C5H10O.C5H6.3C4H4N2.C4H5N.C4H8O.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-4-3-8(7)10-5-1;1-2-7-3-4-9-6-8(7)10-5-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-7(10-3-1)4-8-5-9-6;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-5-4-7-8-6(5)9-3-1;1-2-5-6(8-3-1)4-7-9-5;1-2-5-4-7-9-6(5)8-3-1;1-2-4-6-5-3-1;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*3-4,6H,1-2,5H2;1-7H;1-6,9H;2*1-4H,5-6H2;1-6H;3*3-4H,1-2,5H2;3*4-5H,1-3H2;2*1-5,9H;1-6H;1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);2*1,3,5H,2,4H2;2*1-2,4H,3,5H2;7*1-5H;4H,1-3H2,(H,7,8);2*4H,1-3H2;1-6H;1-5,7H;1-5H;1-5H2;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-4H2;2*1-4H;2-3H,1H2;1-3H,(H,4,5);4*1-3H;4*1-2H/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;
InChIKeyROPAXYPIAYMJKB-UHFFFAOYSA-N
XLogP77.18
TPSA1389.68 Ų
H-Bond Donors10
H-Bond Acceptors114
Rotatable Bonds
Heavy Atoms511
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006969.39
LogP ≤ 577.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 10114

Analyze benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 160684583) is benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=CCC=C1.C1=CN=CC1.C1=NN=CC1.C1CCOC1.C1CCOCC1.O[n+]1ccccc1.c1cc2[nH]ccc2cn1.c1cc2c(cn1)CCCO2.c1cc2c(cn1)CCO2.c1cc2c(cn1)OCC2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)COC2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccccc1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn2ccnc2cn1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCO2.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnn2cccc2c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1n[nH]c2c1CCCO2.c1ncc2c(n1)CCCO2.c1ncc2c(n1)OCCC2.c1ncon1.c1ncsn1.c1nncc2c1CCCO2.c1nnco1.c1nncs1.c1noc2c1CCCO2.c1noc2c1OCCC2.
What is the InChIKey of benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ROPAXYPIAYMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.2C9H10O.4C8H9NO.2C8H7N.2C8H8O.C8H6O.6C7H8N2O.8C7H6N2.4C7H7NO.C7H5NO.2C7H5NS.4C6H5N3.C6H8N2O.2C6H7NO2.C6H6.C5H6NO.C5H5N.C5H10O.C5H6.3C4H4N2.C4H5N.C4H8O.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-4-3-8(7)10-5-1;1-2-7-3-4-9-6-8(7)10-5-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-7(10-3-1)4-8-5-9-6;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-5-4-7-8-6(5)9-3-1;1-2-5-6(8-3-1)4-7-9-5;1-2-5-4-7-9-6(5)8-3-1;1-2-4-6-5-3-1;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*3-4,6H,1-2,5H2;1-7H;1-6,9H;2*1-4H,5-6H2;1-6H;3*3-4H,1-2,5H2;3*4-5H,1-3H2;2*1-5,9H;1-6H;1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);2*1,3,5H,2,4H2;2*1-2,4H,3,5H2;7*1-5H;4H,1-3H2,(H,7,8);2*4H,1-3H2;1-6H;1-5,7H;1-5H;1-5H2;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-4H2;2*1-4H;2-3H,1H2;1-3H,(H,4,5);4*1-3H;4*1-2H/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 6969.39 g/mol, XLogP of 77.18, 0 rotatable bonds, 10 hydrogen bond donors, and 114 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;cyclopenta-1,3-diene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;furan;1-hydroxypyridin-1-ium;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;3H-pyrrole;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 160684583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).