262953
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8
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6
6
6
1
1
1
1
1
1
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255
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3.732
5.4641
5.4641
4.5981
4.5981
3.732
6.3301
6.3301
4.5981
3.732
7.2241
2.866
7.2241
2.866
8.1301
8.1301
2
2
5.4641
7.2169
2.866
7.2169
2.866
8.6659
8.6659
1.4631
1.4631
4.5981
5.135
-1.75
-1.75
0.25
1.75
-0.25
0.25
-1.25
-0.25
-1.25
1.25
-1.7847
-0.25
0.2847
1.75
-1.2708
-0.2292
0.25
1.25
-2.37
-2.4046
-0.87
0.9046
2.37
-1.5829
0.0829
-0.06
1.56
2.37
1.44
8
8
8
8
8
8
8
8
8
8
8
8
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8
2
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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
366
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
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0732000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H11N3O/c15-10-6-2-1-5-9(10)13-14(18)17-12-8-4-3-7-11(12)16-13/h1-8H,15H2,(H,17,18)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
IAPFVKXVLLERHC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
237.090212
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H11N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
237.25664
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)N
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
67.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
237.090212
18
0
0
0
0
0
0
0
1
8