16375290
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3.4782
5.3147
4.4487
7.0468
7.0468
6.1808
5.3147
7.9128
7.9128
6.1808
5.3147
4.4487
8.8067
6.1808
8.8067
3.5827
9.7128
9.7128
6.1808
7.0468
2.6691
7.0468
7.9128
7.9128
2
2.5
7.0468
4.7778
8.7996
8.7996
10.2485
10.2485
5.6438
7.0468
2.5402
7.0468
8.4497
8.4497
1.3834
2.2478
0.8045
-2.19
-1.69
-2.19
-0.19
-0.69
-0.19
-1.69
-0.69
-1.69
0.81
-0.69
-2.2247
1.31
-0.1553
-0.19
-1.7108
-0.6692
2.31
0.81
-0.5967
2.81
1.31
2.31
0.1464
1.0124
-2.81
1.12
-2.8446
0.4646
-2.0229
-0.3571
2.62
0.19
-1.2032
3.43
1
2.62
0.0816
1.5788
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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-[(E)-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-[(E)-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-[(E)-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-[(E)-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-[(E)-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-FYWRMAATSA-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
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3