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8.9942
8.9942
6.3776
3.732
3.732
5.4641
5.4641
4.5981
3.732
4.5981
6.3301
3.732
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
2
8.1301
8.1301
4.5981
5.4641
5.5686
6.5468
7.0468
5.4641
2.866
2.866
7.2169
7.2169
5.135
1.4631
1.4631
5.1079
6.799
7.6634
-2.8154
-0.7671
1.802
-2.7912
2.2088
-2.7912
-0.7912
0.7088
-0.7912
-1.2912
-2.2912
0.2088
-1.2912
-2.2912
-1.2912
0.7088
-2.8259
-0.7566
-0.7912
0.2088
-2.312
-1.2704
1.7088
2.2088
3.2033
3.4112
2.5452
-3.4112
-1.9112
1.3288
-3.4458
-0.1366
0.3988
-1.1012
0.5188
3.6182
3.9776
2.4804
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
632
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07B300046000000000000000000000000012000000030608000000000000081D000001E06100000000C0A85D820B0C182C00008AC0325725400830080250F10488A592076D80860B2E19791942108609400E8C9871C88808E00004000020200240000800004040048000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]phenyl]thiophene-2-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H11Cl2N3O2S/c20-11-8-14-15(9-12(11)21)24-19(26)17(22-14)10-4-1-2-5-13(10)23-18(25)16-6-3-7-27-16/h1-9H,(H,23,25)(H,24,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
XACZURRGZKRLIW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
414.994903
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H11Cl2N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
416.28054
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC(=C(C=C3NC2=O)Cl)Cl)NC(=O)C4=CC=CS4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC(=C(C=C3NC2=O)Cl)Cl)NC(=O)C4=CC=CS4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
98.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
414.994903
27
0
0
0
0
0
0
0
1
10