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6.9535
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
3.868
2.7465
-3.248
1.752
-3.248
-1.248
0.252
-1.248
-1.748
-0.248
-2.748
-1.748
-2.748
-1.748
0.252
-3.2826
-1.2133
-1.248
-0.248
-2.7688
-1.7272
1.252
1.752
1.3453
2.0884
2.9544
-3.868
-2.368
0.872
-0.058
-3.9026
-0.5934
-1.558
0.062
-3.0809
-1.4151
0.7388
2.0236
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
599
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
00000371C07B300044000000000000000000000000012000000030608000000000000081D000001E06100000000C0A81D82030C182C00008AC0325725400830080250F104888192076D80860B2E19791942108609400E8C9871C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
5-chloro-N-[2-(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
5-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
5-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
5-chloranyl-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
5-chloro-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H12ClN3O2S/c20-16-10-9-15(26-16)18(24)22-12-6-2-1-5-11(12)17-19(25)23-14-8-4-3-7-13(14)21-17/h1-10H,(H,22,24)(H,23,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
SILDFGYFAMVRIF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.033875
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H12ClN3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.83548
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=C(S4)Cl
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=C(S4)Cl
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
381.033875
26
0
0
0
0
0
0
0
1
10