7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene

C196H173N33O6S6 — CID 157452265

IUPAC7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESC1=CC2=CC=NC2C=C1.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1cscn1.c1nncs1
InChIInChI=1S/C10H8.4C9H7N.2C8H6N2.2C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.C6H5N3.3C5H5N.2C5H6.2C4H4N2.2C4H5N.2C4H4O.2C4H4S.2C3H3NO.C3H3NS.C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;6*1-2-4-5-3-1;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-8H;4*1-7H;2*1-6H;1-6,9H;1-6,8H;2*1-6H;2*1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);3*1-5H;2*1-4H,5H2;2*1-4H;2*1,3-4H,2H2;4*1-4H;3*1-3H;1-2H
InChIKeyBSXYNJABERQJAJ-UHFFFAOYSA-N
MW3279.17 g/mol
LogP50.48
Rot. Bonds

About 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene

7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 157452265) has the molecular formula C196H173N33O6S6 and a molecular weight of 3279.17 g/mol. Its IUPAC name is 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene
PubChem CID157452265
Molecular FormulaC196H173N33O6S6
Molecular Weight3279.17 g/mol
Exact Mass3276.26
IUPAC Name7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESC1=CC2=CC=NC2C=C1.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1cscn1.c1nncs1
InChIInChI=1S/C10H8.4C9H7N.2C8H6N2.2C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.C6H5N3.3C5H5N.2C5H6.2C4H4N2.2C4H5N.2C4H4O.2C4H4S.2C3H3NO.C3H3NS.C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;6*1-2-4-5-3-1;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-8H;4*1-7H;2*1-6H;1-6,9H;1-6,8H;2*1-6H;2*1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);3*1-5H;2*1-4H,5H2;2*1-4H;2*1,3-4H,2H2;4*1-4H;3*1-3H;1-2H
InChIKeyBSXYNJABERQJAJ-UHFFFAOYSA-N
XLogP50.48
TPSA514.22 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003279.17
LogP ≤ 550.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Analyze 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
benzene-1,2-dicarbonitrile;benzenesulfinate;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;1,1-difluoroethane;bis(1,1-difluoroethylbenzene);1-(1,1-difluoroethyl)-2,3-bis(trifluoromethyl)benzene;3H-indazole;indene-1,3-dione;naphthalene;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyridazine;pyridine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrimidine;quinazoline;quinoline;styrene;sulfur dioxide;1,3,5-triazine;1,2,3-trifluorobenzene
CID 157944307
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015

Frequently Asked Questions

What is the IUPAC name of 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 157452265) is 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene is C1=CC2=CC=NC2C=C1.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1cscn1.c1nncs1.
What is the InChIKey of 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The InChIKey is BSXYNJABERQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.4C9H7N.2C8H6N2.2C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.C6H5N3.3C5H5N.2C5H6.2C4H4N2.2C4H5N.2C4H4O.2C4H4S.2C3H3NO.C3H3NS.C2H2N2S/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;6*1-2-4-5-3-1;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-8H;4*1-7H;2*1-6H;1-6,9H;1-6,8H;2*1-6H;2*1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);3*1-5H;2*1-4H,5H2;2*1-4H;2*1,3-4H,2H2;4*1-4H;3*1-3H;1-2H.
What are the key properties of 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene?
7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 3279.17 g/mol, XLogP of 50.48, 0 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157452265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).