39967685
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7.2437
5.4641
4.5981
7.1962
7.1962
6.3301
5.4641
8.0622
8.0622
6.3301
4.5981
5.4641
8.9561
3.732
8.9561
6.3301
9.8622
9.8622
3.732
2.866
6.4347
2.866
2
2
7.4128
7.9128
7.1962
4.5981
8.949
8.949
10.3979
10.3979
4.269
2.866
5.9739
2.866
1.4631
1.4631
7.665
8.5294
1.052
-2.0412
1.4588
-2.0412
-0.0412
-0.5412
-0.0412
-1.5412
-0.5412
-1.5412
-0.5412
0.9588
-2.0759
-0.0412
-0.0066
1.4588
-1.562
-0.5204
0.9588
-0.5412
2.4533
1.4588
-0.0412
0.9588
2.6612
1.7952
-2.6612
-1.1612
-2.6958
0.6134
-1.8741
-0.2083
1.2688
-1.1612
2.8682
2.0788
-0.3512
1.2688
3.2276
1.7304
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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
622
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C07B300040000000000000000000000000012000000030608000000000000081D000001E04100000000C0C85D800B0C182C00008AC03A5725400830080250A104888192074D8086032E09591942108609400E8C9871D88808E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(Z)-2-phenyl-1-(thiophene-2-carbonyl)vinyl]-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(Z)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(Z)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(Z)-3-oxidanylidene-1-phenyl-3-thiophen-2-yl-prop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(Z)-2-phenyl-1-(2-thenoyl)vinyl]-1H-quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C21H14N2O2S/c24-20(18-11-6-12-26-18)15(13-14-7-2-1-3-8-14)19-21(25)23-17-10-5-4-9-16(17)22-19/h1-13H,(H,23,25)/b15-13-
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
LWFUIHIBTRLEBQ-SQFISAMPSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
358.077599
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C21H14N2O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
358.41306
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CS4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3NC2=O)\C(=O)C4=CC=CS4
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
86.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
358.077599
26
0
0
0
1
1
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0
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3