25126268
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1
1
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1
1
1
1
1
1
2
-1
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255
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3.732
4.5981
5.4641
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
2
8.1301
8.1301
2
5.4641
2.866
7.2169
7.2169
2.866
1.4631
8.6659
8.6659
1.4631
-1.94
2.56
1.06
-1.94
0.06
1.56
-0.44
0.06
-1.44
-0.44
-1.44
1.06
-0.44
-1.9747
0.0947
1.56
0.06
-1.4608
-0.4192
1.06
-2.56
-1.06
-2.5946
0.7146
2.18
-0.25
-1.7729
-0.1071
1.37
8
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
443
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0733000000000000000000000000000000000000000306080000000000000814000001E00140000000C0881980030C082D04000A9032572570082000021020028880120749A0860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-nitrophenyl)-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-nitrophenyl)-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-nitrophenyl)-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-nitrophenyl)-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-nitrophenyl)-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H9N3O3/c18-14-13(9-5-1-4-8-12(9)17(19)20)15-10-6-2-3-7-11(10)16-14/h1-8H,(H,16,18)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
GXMDBZRWNFFEOG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
267.064391
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H9N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
267.23956
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)[N+](=O)[O-]
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)[N+](=O)[O-]
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
87.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
267.064391
20
0
0
0
0
0
0
0
1
2