1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine

C114H148N12O5S3 — CID 158491738

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
SMILESC1=Cc2cccnc2C1.C1CC1.C1CC2(C1)CCNCC2.C1CC2CC1CN2.C1CC2CNCC2C1.C1CCC1.C1CCCC1.C1CCCCC1.O=S1(=O)CCNCC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CNCCO2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/C9H11NO.C9H7N.C9H10.C8H9N.C8H7N.C8H15N.2C7H5NO.2C7H5NS.C7H13N.C6H11N.C6H12.C5H10.C4H9NO2S.C4H8.C3H6/c1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;1-2-8(3-1)4-6-9-7-5-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-8-5-7(6)3-1;1-2-6-3-5(1)4-7-6;1-2-4-6-5-3-1;1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;1-2-4-3-1;1-2-3-1/h1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;1-4,6H,5H2;9H,1-7H2;4*1-5H;6-8H,1-5H2;5-7H,1-4H2;1-6H2;1-5H2;5H,1-4H2;1-4H2;1-3H2
InChIKeyHITXNKFCSZSSLE-UHFFFAOYSA-N
MW1862.72 g/mol
LogP26.38
Rot. Bonds

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine (PubChem CID 158491738) has the molecular formula C114H148N12O5S3 and a molecular weight of 1862.72 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
PubChem CID158491738
Molecular FormulaC114H148N12O5S3
Molecular Weight1862.72 g/mol
Exact Mass1861.09
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
SMILESC1=Cc2cccnc2C1.C1CC1.C1CC2(C1)CCNCC2.C1CC2CC1CN2.C1CC2CNCC2C1.C1CCC1.C1CCCC1.C1CCCCC1.O=S1(=O)CCNCC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CNCCO2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/C9H11NO.C9H7N.C9H10.C8H9N.C8H7N.C8H15N.2C7H5NO.2C7H5NS.C7H13N.C6H11N.C6H12.C5H10.C4H9NO2S.C4H8.C3H6/c1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;1-2-8(3-1)4-6-9-7-5-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-8-5-7(6)3-1;1-2-6-3-5(1)4-7-6;1-2-4-6-5-3-1;1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;1-2-4-3-1;1-2-3-1/h1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;1-4,6H,5H2;9H,1-7H2;4*1-5H;6-8H,1-5H2;5-7H,1-4H2;1-6H2;1-5H2;5H,1-4H2;1-4H2;1-3H2
InChIKeyHITXNKFCSZSSLE-UHFFFAOYSA-N
XLogP26.38
TPSA220.03 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.72
LogP ≤ 526.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine with MolForge

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Related Compounds

[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158743745
4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1lambda6,4-benzothiazine 1,1-dioxide;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 158816245
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;3H-indole;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
CID 158908699
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 159845535
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;cyclobutane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazine;piperazin-2-one;piperidin-4-ol;pyrrolidine;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine
CID 161069146
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
CID 161113072
[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162005397
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine
CID 163628963

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine (CID 158491738) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine is C1=Cc2cccnc2C1.C1CC1.C1CC2(C1)CCNCC2.C1CC2CC1CN2.C1CC2CNCC2C1.C1CCC1.C1CCCC1.C1CCCCC1.O=S1(=O)CCNCC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CNCCO2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2occc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?
The InChIKey is HITXNKFCSZSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C9H7N.C9H10.C8H9N.C8H7N.C8H15N.2C7H5NO.2C7H5NS.C7H13N.C6H11N.C6H12.C5H10.C4H9NO2S.C4H8.C3H6/c1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;1-2-8(3-1)4-6-9-7-5-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-8-5-7(6)3-1;1-2-6-3-5(1)4-7-6;1-2-4-6-5-3-1;1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;1-2-4-3-1;1-2-3-1/h1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;1-4,6H,5H2;9H,1-7H2;4*1-5H;6-8H,1-5H2;5-7H,1-4H2;1-6H2;1-5H2;5H,1-4H2;1-4H2;1-3H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine has a molecular weight of 1862.72 g/mol, XLogP of 26.38, 0 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine is sourced from PubChem (CID 158491738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).