1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

C286H424N20O16S14 — CID 163540754

IUPAC1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=O.O=S1(=O)CCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCCc2ccccc2S1=O.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1CCc2ccccc2CS1=O.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCN2.c1cnc2c(c1)NCC2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2
InChIInChI=1S/2C9H11N.2C9H10O2S2.2C9H10OS.2C9H10O.2C9H10S.4C8H10N2.2C8H9N.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.4C7H8N2.28C2H6.O2/c2*1-2-6-9-8(4-1)5-3-7-10-9;10-12-7-3-5-8-4-1-2-6-9(8)13(12)11;10-12-6-5-8-3-1-2-4-9(8)7-13(12)11;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;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;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;29*1-2/h2*3,5,7H,1-2,4,6H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*5-6H,1-4H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;1-2,4H,3,5H2,(H,8,9);28*1-2H3;
InChIKeyFAWXSZLPSOFLHD-UHFFFAOYSA-N
MW4847.60 g/mol
LogP74.77
Rot. Bonds

About 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (PubChem CID 163540754) has the molecular formula C286H424N20O16S14 and a molecular weight of 4847.60 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
PubChem CID163540754
Molecular FormulaC286H424N20O16S14
Molecular Weight4847.60 g/mol
Exact Mass4842.91
IUPAC Name1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=O.O=S1(=O)CCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCCc2ccccc2S1=O.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1CCc2ccccc2CS1=O.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCN2.c1cnc2c(c1)NCC2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2
InChIInChI=1S/2C9H11N.2C9H10O2S2.2C9H10OS.2C9H10O.2C9H10S.4C8H10N2.2C8H9N.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.4C7H8N2.28C2H6.O2/c2*1-2-6-9-8(4-1)5-3-7-10-9;10-12-7-3-5-8-4-1-2-6-9(8)13(12)11;10-12-6-5-8-3-1-2-4-9(8)7-13(12)11;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;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;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;29*1-2/h2*3,5,7H,1-2,4,6H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*5-6H,1-4H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;1-2,4H,3,5H2,(H,8,9);28*1-2H3;
InChIKeyFAWXSZLPSOFLHD-UHFFFAOYSA-N
XLogP74.77
TPSA494.40 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004847.60
LogP ≤ 574.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157409162
CID 157409162
CID 158113751
CID 158113751
CID 158866848
CID 158866848
CID 159015259
CID 159015259
CID 159497366
CID 159497366
CID 159562537
CID 159562537
CID 159607941
CID 159607941
CID 159689518
CID 159689518
CID 160684766
CID 160684766
CID 160816218
CID 160816218
CID 161692227
CID 161692227
CID 161897124
CID 161897124

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (CID 163540754) is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=O.O=S1(=O)CCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCCc2ccccc2S1=O.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1CCc2ccccc2CS1=O.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCN2.c1cnc2c(c1)NCC2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The InChIKey is FAWXSZLPSOFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10O2S2.2C9H10OS.2C9H10O.2C9H10S.4C8H10N2.2C8H9N.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.4C7H8N2.28C2H6.O2/c2*1-2-6-9-8(4-1)5-3-7-10-9;10-12-7-3-5-8-4-1-2-6-9(8)13(12)11;10-12-6-5-8-3-1-2-4-9(8)7-13(12)11;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;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;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;29*1-2/h2*3,5,7H,1-2,4,6H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*5-6H,1-4H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;1-2,4H,3,5H2,(H,8,9);28*1-2H3;.
What are the key properties of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline has a molecular weight of 4847.60 g/mol, XLogP of 74.77, 0 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;4,5-dihydro-1H-2λ4,3λ4-benzodithiepine 2,3-dioxide;4,5-dihydro-3H-1λ4,2λ4-benzodithiepine 1,2-dioxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydrocinnoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 163540754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).