3162043
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5.5686
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
6.3776
7.0468
6.5468
5.4641
2.866
2.866
5.135
7.2169
7.2169
1.4631
1.4631
8.6659
8.6659
6.5066
7.6634
6.799
3.2033
-2.7912
2.2088
-2.7912
-0.7912
0.7088
-0.7912
-1.2912
0.2088
-2.2912
-1.2912
-2.2912
-1.2912
0.7088
-2.8259
-0.7566
-0.7912
0.2088
-2.312
-1.2704
1.7088
2.2088
1.802
2.5452
3.4112
-3.4112
-1.9112
1.3288
0.3988
-3.4458
-0.1366
-1.1012
0.5188
-2.6241
-0.9583
1.1956
2.4804
3.9776
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
565
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C07B300040000000000000000000000000012000000030608000000000000081D000001E04100000000C0885D800B0C182C00008AC0325725400830080250A104888192074D80860B2E09591942108609400E8C9871C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C19H13N3O2S/c23-18(16-10-5-11-25-16)21-13-7-2-1-6-12(13)17-19(24)22-15-9-4-3-8-14(15)20-17/h1-11H,(H,21,23)(H,22,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
QSVBKTQBVIMRBD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
347.072848
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C19H13N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
347.39042
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=CS4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=CS4
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
98.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
347.072848
25
0
0
0
0
0
0
0
1
10