5338122
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30
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1
7
4
8
12
16
33
1
1
8
3
7
11
15
34
1
1
1
5
255
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5.4641
5.4641
6.3301
6.3301
7.1962
7.1962
5.4641
5.4641
8.0901
8.0901
4.5981
4.5981
8.9962
8.9962
4.5981
4.5981
3.732
3.732
3.732
2.866
2.866
3.732
2.866
2
2
2.866
2
2
6.3301
6.3301
8.0829
8.0829
4.0611
4.0611
9.5319
9.5319
4.269
2.866
2.866
4.269
2.866
1.4631
1.4631
2.866
1.4631
1.4631
-2.5
2.5
-1
1
0.5
-0.5
0.5
-0.5
1.0347
-1.0347
-1
1
-0.5208
0.5208
-2
2
2.5
-2.5
3.5
-2
2
-3.5
4
-2.5
2.5
-4
-3.5
3.5
-1.62
1.62
1.6546
-1.6546
0.69
-0.69
0.8329
-0.8329
3.81
-1.38
1.38
-3.81
4.62
-2.19
2.19
-4.62
-3.81
3.81
8
8
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8
8
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8
5
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26
6
9
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14
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27
0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
583
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000000000000003C60C1000000000000B15000001E00100000000C0C81980030C082C000008802A45240008200002502000888010074C8086032C09591942108609000C8C9C71888808E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2Z)-2-[(3Z)-3-phenacylidene-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2Z)-2-[(3Z)-3-phenacylidene-1,4-dihydroquinoxalin-2-ylidene]-1-phenylethanone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2Z)-2-[(3Z)-3-phenacylidene-1,4-dihydroquinoxalin-2-ylidene]-1-phenylethanone
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2Z)-2-[(3Z)-3-phenacylidene-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2Z)-2-[(3Z)-3-phenacylidene-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H18N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-16,25-26H/b21-15-,22-16-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
IAOHCDDPBBHCQD-BMJUYKDLSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
366.136828
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H18N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
366.41192
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(=O)C=C2C(=CC(=O)C3=CC=CC=C3)NC4=CC=CC=C4N2
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(=O)/C=C/2\NC3=CC=CC=C3N\C2=C/C(=O)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
58.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
366.136828
28
0
0
0
2
2
0
0
1
6