244987
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4.3709
4.9889
5.2619
4.6783
3.732
3.732
5.2389
4.6783
6.2016
2.866
2.866
6.2363
4.8021
2
2
6.3752
6.9676
6.797
5.3627
6.3602
7.3149
7.9073
8.081
2.866
2.866
3.7647
6.5072
4.1837
1.4631
1.4631
5.9003
6.86
7.4154
5.0919
6.7077
7.4226
8.3823
8.6636
0.9537
-2.5578
-0.8026
0.0021
-0.3026
-1.3026
0.8302
-1.6073
-1.1446
0.1974
-1.8026
0.7587
1.7298
-0.3026
-1.3026
-2.1294
-0.5018
1.5868
2.5578
2.4864
-2.4714
-0.8438
-1.8286
0.8174
-2.4226
1.0837
0.201
1.7741
0.0074
-1.6126
-2.5279
0.1088
1.5425
3.1156
2.9998
-3.082
-0.4453
-2.0407
3
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
439
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07A30000000000000000000000000000001600000003060C0000000000058015000001E00000800000C0C81980030C083000200880225525000820000250200088801006CC8082632C0959184710864C401C8D987BEC8E08E80000000001000000000000000200000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-hydroxy-2,3-diphenyl-isoindolin-1-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-hydroxy-2,3-diphenyl-1-isoindolone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-hydroxy-2,3-diphenylisoindol-1-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-oxidanyl-2,3-diphenyl-isoindol-1-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-hydroxy-2,3-diphenyl-isoindolin-1-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H15NO2/c22-19-17-13-7-8-14-18(17)20(23,15-9-3-1-4-10-15)21(19)16-11-5-2-6-12-16/h1-14,23H
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
WKWXXBAPHABXEQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
301.110279
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H15NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
301.3386
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
40.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
301.110279
23
1
0
1
0
0
0
0
1
1