54687868
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5.4641
3.732
5.4641
6.3301
6.3301
4.5981
5.4641
4.5981
5.4641
3.732
7.2241
7.2241
8.1301
8.1301
4.5981
6.3301
3.732
2.866
4.5981
6.3301
2.866
2
5.4641
2
7.2169
7.2169
8.6659
8.6659
4.0611
6.8671
4.269
2.866
6.001
4.0611
6.8671
2.866
1.4631
5.4641
1.4631
2.75
-0.25
-0.25
0.25
1.25
1.25
1.75
0.25
-1.25
1.75
-0.2847
1.7847
0.2292
1.2708
-1.75
-1.75
2.75
1.25
-2.75
-2.75
3.25
1.75
-3.25
2.75
-0.9046
2.4046
-0.0829
1.5829
-1.44
-1.44
3.06
0.63
3.06
-3.06
-3.06
3.87
1.44
-3.87
3.06
8
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0
Compound
Canonicalized
5
2011.12.21
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
500
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371C07A30000000000000000000000000000000000000003060C1000000000000815000001E00000800000C0C81980030C083000200880225525000820000212200088801006CC8082672C0959184700866C401C8D90798C8A08E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1,3-diphenyl-quinolin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1,3-diphenyl-2-quinolinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1,3-diphenylquinolin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-oxidanyl-1,3-diphenyl-quinolin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1,3-diphenyl-carbostyril
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C21H15NO2/c23-20-17-13-7-8-14-18(17)22(16-11-5-2-6-12-16)21(24)19(20)15-9-3-1-4-10-15/h1-14,23H
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
YWEIHGYPWBJOHR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
313.110279
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C21H15NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
313.3493
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
40.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
313.110279
24
0
0
0
0
0
0
0
1
3