16800645
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3.732
5.4641
5.4641
4.5981
4.5981
3.732
6.3301
6.3301
4.5981
3.732
2.866
7.2241
7.2241
2.866
8.1301
2
8.1301
2
5.4641
4.5981
6.3301
5.4641
7.1962
6.3301
7.1962
5.4641
2.866
7.2169
7.2169
2.866
1.4631
8.6659
8.6659
1.4631
4.0611
6.3301
4.9272
7.7331
6.3301
7.7331
-2.94
-2.94
-0.94
0.56
-1.44
-0.94
-2.44
-1.44
-2.44
0.06
-1.44
-2.9747
-0.9053
0.56
-2.4608
-0.94
-1.4192
0.06
2.06
1.56
1.56
3.06
2.06
3.56
3.06
-3.56
-2.06
-3.5946
-0.2854
1.18
-1.25
-2.7729
-1.1071
0.37
1.87
0.94
3.37
1.75
4.18
3.37
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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
535
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B20000000000000000000000000000000000000003060C1000000000000815000001E00100000000C08C1980430C082C00000A803357354008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(benzylideneamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-[(phenylmethylene)amino]phenyl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(benzylideneamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-[(phenylmethylidene)amino]phenyl]-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(benzalamino)phenyl]-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C21H15N3O/c25-21-20(23-18-12-6-7-13-19(18)24-21)16-10-4-5-11-17(16)22-14-15-8-2-1-3-9-15/h1-14H,(H,24,25)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
UHVNWFUAPZCIJN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
325.121512
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C21H15N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
325.3633
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C=NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C=NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
53.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
325.121512
25
0
0
0
0
0
0
0
1
2