7187734
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11
15
8
15
30
9
11
32
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1
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5
255
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3.732
3.732
4.5981
5.4641
5.4641
3.732
4.5981
3.732
6.3301
6.3301
4.5981
5.4641
2.866
2.866
4.5981
5.4641
7.2241
2
7.2241
2
8.1301
8.1301
6.3301
4.5981
6.3301
4.5981
5.4641
5.6762
6.0747
5.135
2.866
5.4641
2.866
7.2169
1.4631
7.2169
1.4631
8.6659
8.6659
6.8671
4.0611
6.8671
4.0611
5.4641
-3.69
1.31
-0.19
-3.69
-1.69
-1.69
-2.19
-0.69
-3.19
-2.19
-3.19
1.31
-2.19
-0.19
0.81
2.31
-3.7247
-1.69
-1.6553
-0.69
-3.2108
-2.1692
2.81
2.81
3.81
3.81
4.31
0.7274
1.4177
-0.5
-2.81
-4.31
0.43
-4.3446
-2
-1.0354
-0.38
-3.5229
-1.8571
2.5
2.5
4.12
4.12
4.93
8
8
8
8
8
8
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8
8
8
8
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8
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8
8
8
8
8
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8
8
4
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5
5
6
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7
8
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13
14
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18
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21
23
24
25
26
9
11
7
10
8
13
11
14
10
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27
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
582
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-phenyl-acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-phenylacetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-phenylacetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-2-phenyl-ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-2-phenyl-acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H17N3O2/c26-20(14-15-8-2-1-3-9-15)23-17-11-5-4-10-16(17)21-22(27)25-19-13-7-6-12-18(19)24-21/h1-13H,14H2,(H,23,26)(H,25,27)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SPHCXXYRSVQGRQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
355.132077
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H17N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
355.38928
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
355.132077
27
0
0
0
0
0
0
0
1
18