4031879
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9.8602
2
4.5981
6.3301
6.3301
5.4641
5.4641
4.5981
7.1962
7.1962
5.4641
4.5981
8.0901
3.732
8.0901
3.732
8.9962
8.9962
2.866
2.866
6.3301
8.0829
3.732
8.0829
3.732
9.5319
2.3291
5.4641
6.001
0.2742
-0.25
-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
1.56
2.37
1.44
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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
429
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
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
00000371C0732180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-amino-5-fluoro-phenyl)-6-fluoro-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-amino-5-fluorophenyl)-6-fluoro-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-amino-5-fluorophenyl)-6-fluoro-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-azanyl-5-fluoranyl-phenyl)-6-fluoranyl-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-amino-5-fluoro-phenyl)-6-fluoro-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H9F2N3O/c15-7-1-3-10(17)9(5-7)13-14(20)19-11-4-2-8(16)6-12(11)18-13/h1-6H,17H2,(H,19,20)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
OZPFADYEQGNEFL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
273.071368
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H9F2N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
273.237566
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=C(C=C1F)C2=NC3=C(C=CC(=C3)F)NC2=O)N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=C(C=C1F)C2=NC3=C(C=CC(=C3)F)NC2=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
273.071368
20
0
0
0
0
0
0
0
1
15