68376488
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27
9
8
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7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
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27
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1
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1
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2
1
1
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1
1
1
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2
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2
1
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1
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1
1
5
255
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2
4.5981
6.3301
6.3301
7.1962
5.4641
7.1962
4.5981
5.4641
8.0901
8.0901
4.5981
3.732
8.9962
8.9962
3.732
2.866
2.866
6.3301
8.0829
8.0829
5.135
3.732
9.5319
9.5319
3.732
2.3291
2.06
-1.44
-1.44
0.56
-0.94
0.06
0.06
0.56
-0.94
-1.4747
0.5947
1.56
0.06
-0.9608
0.0808
2.06
0.56
1.56
-2.06
-2.0946
1.2146
1.87
-0.56
-1.2729
0.3929
2.68
0.25
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
361
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C0732100000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071888808E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(4-fluorophenyl)-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(4-fluorophenyl)-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(4-fluorophenyl)-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(4-fluorophenyl)-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(4-fluorophenyl)-1H-quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-14(18)17-12-4-2-1-3-11(12)16-13/h1-8H,(H,17,18)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
XUBHLQIHDDSOME-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
240.069891
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C14H9FN2O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
240.232463
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC=C(C=C3)F
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC=C(C=C3)F
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
41.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
240.069891
18
0
0
0
0
0
0
0
1
2