benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene

C241H437N21O8S5 — CID 157153397

IUPACbenzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene
SMILESC1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CNC2.c1ccc2ccccc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/C10H8.2C8H9N.C8H7N.C8H8S.C8H6S.C7H5NO.C6H6.C5H11N.C5H5N.C5H10O.24C5H12.C4H10N2.C4H9NO.C4H9N.C4H8O.C4H4O.C4H4S.2C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-6-9-5-7(8)3-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;4*1-2-4-6-5-3-1;24*1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;4*1-2-4-5-3-1;1-2-5-3-4-1;2*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/h1-8H;2*1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;1-6H;1-5H;1-6H;6H,1-5H2;1-5H;1-5H2;24*1-4H3;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;2*1-4H;2*1-3H,(H,4,5);3*1-3H;2*1-2H
InChIKeyALNGYKFPOFDAMD-UHFFFAOYSA-N
MW3917.62 g/mol
LogP75.89
Rot. Bonds

About benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene

benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 157153397) has the molecular formula C241H437N21O8S5 and a molecular weight of 3917.62 g/mol. Its IUPAC name is benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID157153397
Molecular FormulaC241H437N21O8S5
Molecular Weight3917.62 g/mol
Exact Mass3914.30
IUPAC Namebenzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene
SMILESC1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CNC2.c1ccc2ccccc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/C10H8.2C8H9N.C8H7N.C8H8S.C8H6S.C7H5NO.C6H6.C5H11N.C5H5N.C5H10O.24C5H12.C4H10N2.C4H9NO.C4H9N.C4H8O.C4H4O.C4H4S.2C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-6-9-5-7(8)3-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;4*1-2-4-6-5-3-1;24*1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;4*1-2-4-5-3-1;1-2-5-3-4-1;2*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/h1-8H;2*1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;1-6H;1-5H;1-6H;6H,1-5H2;1-5H;1-5H2;24*1-4H3;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;2*1-4H;2*1-3H,(H,4,5);3*1-3H;2*1-2H
InChIKeyALNGYKFPOFDAMD-UHFFFAOYSA-N
XLogP75.89
TPSA366.76 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003917.62
LogP ≤ 575.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

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
N,N-diethyl-4-propylaniline;N,N-dimethyl-4-propylaniline;3,5-dimethyl-4-propyl-1,2-oxazole;3,5-dimethyl-4-propyl-1H-pyrazole;4-ethyl-N,N-dimethylaniline;4-ethyl-1-oxidopyridin-1-ium;1-ethyl-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propylimidazole;1-methylsulfonyl-4-propan-2-ylbenzene;1-nitro-4-propylbenzene;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylthiophene;4-propylbenzenesulfonamide;2-propylfuran;5-propyl-1H-imidazole;2-propylpyrazine;2-propylpyridine;3-propylpyridine;4-propylpyridine;2-propylthiophene;2-(1,1,1-trifluoropropan-2-yl)furan;2-(1,1,1-trifluoropropan-2-yl)pyridine
CID 158380816
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-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;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 160409071
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);3-ethylpyridine;2-fluoro-3-methylpyridine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;2-methylpyrazine;N-methylpyridin-2-amine;bis(2-methylpyridine);bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-piperidin-1-yl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 160487232
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;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;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-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;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-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;bis(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;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;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;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
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-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(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;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 161693883
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

Frequently Asked Questions

What is the IUPAC name of benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene (CID 157153397) is benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene is C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CNC2.c1ccc2ccccc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cscn1.c1ncon1.c1nnco1.
What is the InChIKey of benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is ALNGYKFPOFDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C8H9N.C8H7N.C8H8S.C8H6S.C7H5NO.C6H6.C5H11N.C5H5N.C5H10O.24C5H12.C4H10N2.C4H9NO.C4H9N.C4H8O.C4H4O.C4H4S.2C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-6-9-5-7(8)3-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;4*1-2-4-6-5-3-1;24*1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;4*1-2-4-5-3-1;1-2-5-3-4-1;2*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/h1-8H;2*1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;1-6H;1-5H;1-6H;6H,1-5H2;1-5H;1-5H2;24*1-4H3;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;2*1-4H;2*1-3H,(H,4,5);3*1-3H;2*1-2H.
What are the key properties of benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene?
benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 3917.62 g/mol, XLogP of 75.89, 0 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157153397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).