13266972
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4.5981
2
2.866
4.5981
4.5981
5.4641
5.4641
3.732
2.866
2.866
3.732
3.732
6.358
6.358
2
7.2641
7.2641
3.732
2
2.866
5.4641
4.5981
6.3509
6.3509
1.4631
7.7998
7.7998
4.269
1.4631
2.866
5.7741
6.001
5.1541
0.81
-0.69
-2.19
-2.19
-0.19
-1.69
-0.69
-0.69
0.81
-0.19
-1.69
1.31
-2.2247
-0.1553
1.31
-1.7108
-0.6692
2.31
2.31
2.81
1.31
-2.81
-2.8446
0.4646
1
-2.0229
-0.3571
2.62
2.62
3.43
0.7731
1.62
1.8469
8
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
460
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0C81980232C682C00400A803A5725400820800252200088801267CC80C663ECCB59B94316864F411C8E98798DCA2CE00000000000800200000000000100040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-methoxybenzoyl)-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[(2-methoxyphenyl)-oxomethyl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-methoxybenzoyl)-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-methoxyphenyl)carbonyl-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-o-anisoyl-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H12N2O3/c1-21-13-9-5-2-6-10(13)15(19)14-16(20)18-12-8-4-3-7-11(12)17-14/h2-9H,1H3,(H,18,20)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
OVSINYGMKOMBIQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
280.084792
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H12N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
280.27808
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1C(=O)C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1C(=O)C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
67.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
280.084792
21
0
0
0
0
0
0
0
1
5