1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane

C224H395N15O8S7 — CID 157230485

IUPAC1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane
SMILESC1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2onnc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1
InChIInChI=1S/C9H10N2.C9H7N.2C8H7NO.2C8H7NS.C8H8O2S.C8H8O.C8H6O.C8H8S.C8H6S.C7H7N3.C6H4N2O.C6H4N2S.C5H11N.C4H8O.C4H8S.17C4H10.17C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-2-6-9-8(4-1)5-3-7-10-9;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;4*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;2*1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;17*1-4(2)3;17*1-2/h3-6H,1-2H3;1-7H;4*2-5H,1H3;1-4H,5-6H2;1-4H,5-6H2;1-6H;1-4H,5-6H2;1-6H;2-5H,1H3;2*1-4H;2-5H2,1H3;2*1-4H2;17*4H,1-3H3;17*1-2H3
InChIKeyAUAUBPRMEZKDJA-UHFFFAOYSA-N
MW3651.19 g/mol
LogP76.51
Rot. Bonds

About 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane

1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane (PubChem CID 157230485) has the molecular formula C224H395N15O8S7 and a molecular weight of 3651.19 g/mol. Its IUPAC name is 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane.

Molecular Properties

Compound Name1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane
PubChem CID157230485
Molecular FormulaC224H395N15O8S7
Molecular Weight3651.19 g/mol
Exact Mass3647.90
IUPAC Name1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane
SMILESC1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2onnc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1
InChIInChI=1S/C9H10N2.C9H7N.2C8H7NO.2C8H7NS.C8H8O2S.C8H8O.C8H6O.C8H8S.C8H6S.C7H7N3.C6H4N2O.C6H4N2S.C5H11N.C4H8O.C4H8S.17C4H10.17C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-2-6-9-8(4-1)5-3-7-10-9;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;4*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;2*1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;17*1-4(2)3;17*1-2/h3-6H,1-2H3;1-7H;4*2-5H,1H3;1-4H,5-6H2;1-4H,5-6H2;1-6H;1-4H,5-6H2;1-6H;2-5H,1H3;2*1-4H;2-5H2,1H3;2*1-4H2;17*4H,1-3H3;17*1-2H3
InChIKeyAUAUBPRMEZKDJA-UHFFFAOYSA-N
XLogP76.51
TPSA272.94 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003651.19
LogP ≤ 576.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane with MolForge

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Related Compounds

dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
dialuminum;diberyllium;tetrazinc;bis([2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide);bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);bis([2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide);bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide)
CID 159069487
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
bis(1-benzofuran);1-benzothiophene;docosakis(2,2-dimethylpropane);furan;isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methylimidazole;1-methylindole;bis(1-methylpyrrole);1,3-oxazole;phthalazine;pyrazine;pyridazine;bis(pyridine);quinoline;quinoxaline;1,3-thiazole;thiophene
CID 157060136
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,3-dihydro-1H-benzimidazole;4,5-dihydro-1,2-oxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
CID 157067399
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
1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)
CID 157087421
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
1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;ethane;4H-imidazole;1H-indene;3H-indole;oxadiazole;3H-pyrazole;thiadiazole
CID 157108850
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pteridine;pyrazine;1H-pyrazole;1H-pyrazolo[4,3-d]pyrimidine;pyridazine;pyridine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157111593
1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-indole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1,1-dioxide;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 157138688
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;indolizine;isoquinoline;1,8-naphthyridine;bis(1,3-oxazole);1-phenylindole;2-phenylisoindole;pyrazine;bis(pyridine);pyrido[2,3-b]pyrazine;bis(pyrimidine);quinoline;4H-quinolizine;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thiophene
CID 157160626

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane?
The IUPAC name of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane (CID 157230485) is 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane.
What is the SMILES notation for 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane?
The canonical SMILES for 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane is C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2onnc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.
What is the InChIKey of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane?
The InChIKey is AUAUBPRMEZKDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H7N.2C8H7NO.2C8H7NS.C8H8O2S.C8H8O.C8H6O.C8H8S.C8H6S.C7H7N3.C6H4N2O.C6H4N2S.C5H11N.C4H8O.C4H8S.17C4H10.17C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-2-6-9-8(4-1)5-3-7-10-9;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;4*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;2*1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;17*1-4(2)3;17*1-2/h3-6H,1-2H3;1-7H;4*2-5H,1H3;1-4H,5-6H2;1-4H,5-6H2;1-6H;1-4H,5-6H2;1-6H;2-5H,1H3;2*1-4H;2-5H2,1H3;2*1-4H2;17*4H,1-3H3;17*1-2H3.
What are the key properties of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane?
1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane has a molecular weight of 3651.19 g/mol, XLogP of 76.51, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;1,2,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;heptadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;quinoline;thiolane is sourced from PubChem (CID 157230485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).