2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene

C221H190N42O7S5 — CID 157304081

IUPAC2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
SMILESC1=CCN2C=CC=CC2=C1.C1=CCN=C1.C1=CCOC=C1.C1=Cc2ccccc2OC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C13H10O.C12H8OS.C12H8S2.C9H9N.2C9H7N.C9H8O.5C8H6N2.4C8H7N.C8H6O.C7H6N2.C6H4N4.C5H4N4.C5H5N.C5H6O.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-10-8-4-2-6-9(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;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(7-1)9-3-4-10-6;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1/h1-8H,9H2;2*1-8H;1-7H,8H2;2*1-7H;1-6H,7H2;5*1-6H;1-7H;1-6,9H;1-4,6H,5H2;1-6,9H;1-6H;1-5H,(H,8,9);1-4H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;3*1-4H;1-3H,4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H
InChIKeyBCFYLGXGYDHKIH-UHFFFAOYSA-N
MW3706.57 g/mol
LogP52.06
Rot. Bonds

About 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene

2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene (PubChem CID 157304081) has the molecular formula C221H190N42O7S5 and a molecular weight of 3706.57 g/mol. Its IUPAC name is 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene.

Molecular Properties

Compound Name2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
PubChem CID157304081
Molecular FormulaC221H190N42O7S5
Molecular Weight3706.57 g/mol
Exact Mass3703.44
IUPAC Name2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
SMILESC1=CCN2C=CC=CC2=C1.C1=CCN=C1.C1=CCOC=C1.C1=Cc2ccccc2OC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C13H10O.C12H8OS.C12H8S2.C9H9N.2C9H7N.C9H8O.5C8H6N2.4C8H7N.C8H6O.C7H6N2.C6H4N4.C5H4N4.C5H5N.C5H6O.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-10-8-4-2-6-9(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;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(7-1)9-3-4-10-6;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1/h1-8H,9H2;2*1-8H;1-7H,8H2;2*1-7H;1-6H,7H2;5*1-6H;1-7H;1-6,9H;1-4,6H,5H2;1-6,9H;1-6H;1-5H,(H,8,9);1-4H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;3*1-4H;1-3H,4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H
InChIKeyBCFYLGXGYDHKIH-UHFFFAOYSA-N
XLogP52.06
TPSA618.83 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003706.57
LogP ≤ 552.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene with MolForge

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Related Compounds

CID 159320113
CID 159320113
1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;furan;methane;naphthalene;1,2,4-oxadiazole;1-phenyltriazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;1,3,4-thiadiazole;2H-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162272411
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene;3,5-diphenyl-1H-pyrazole;furan;1H-indole;naphthalene;1,2-oxazole;1-phenyltriazole;1H-pyrazole;pyridazine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,2-thiazole;2,2,2-trifluoro-1-phenylethanone
CID 162282430
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltetrazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300075
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
bis(1H-benzimidazole);1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine
CID 157054861
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 157071189
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;isoquinoline;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157087052
benzene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;1,2-dihydrocinnoline;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indene;indolizine;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 157091306
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157107655

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
The IUPAC name of 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene (CID 157304081) is 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene.
What is the SMILES notation for 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
The canonical SMILES for 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene is C1=CCN2C=CC=CC2=C1.C1=CCN=C1.C1=CCOC=C1.C1=Cc2ccccc2OC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
The InChIKey is BCFYLGXGYDHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H8OS.C12H8S2.C9H9N.2C9H7N.C9H8O.5C8H6N2.4C8H7N.C8H6O.C7H6N2.C6H4N4.C5H4N4.C5H5N.C5H6O.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-10-8-4-2-6-9(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;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(7-1)9-3-4-10-6;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1/h1-8H,9H2;2*1-8H;1-7H,8H2;2*1-7H;1-6H,7H2;5*1-6H;1-7H;1-6,9H;1-4,6H,5H2;1-6,9H;1-6H;1-5H,(H,8,9);1-4H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;3*1-4H;1-3H,4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H.
What are the key properties of 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene has a molecular weight of 3706.57 g/mol, XLogP of 52.06, 0 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene is sourced from PubChem (CID 157304081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).