7187744
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6.3301
4.9641
5.9641
3.732
3.732
5.4641
5.4641
4.5981
3.732
4.5981
3.732
6.3301
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
2
8.1301
8.1301
4.5981
5.4641
5.4641
2.866
2.866
7.2169
7.2169
5.135
1.4631
1.4631
8.6659
8.6659
2.877
3.243
1.511
-2.623
2.377
-2.623
-0.623
0.877
-0.623
-1.123
0.377
-2.123
-1.123
-2.123
-1.123
0.877
-2.6577
-0.5884
-0.623
0.377
-2.1438
-1.1022
1.877
2.377
-3.243
-1.743
1.497
-3.2776
0.0316
0.567
-0.933
0.687
-2.4559
-0.7901
8
8
8
8
8
8
8
8
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8
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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
547
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B3180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881981030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2,2-trifluoro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2,2-trifluoro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2,2-trifluoro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2,2-tris(fluoranyl)-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2,2-trifluoro-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H10F3N3O2/c17-16(18,19)15(24)22-10-6-2-1-5-9(10)13-14(23)21-12-8-4-3-7-11(12)20-13/h1-8H,(H,21,23)(H,22,24)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SZOIASZFGSLHMF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
333.072511
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H10F3N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
333.26471
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C(F)(F)F
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C(F)(F)F
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
333.072511
24
0
0
0
0
0
0
0
1
10