70698646
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6
1
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1
1
1
1
1
1
1
-1
6
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20
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255
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2.866
2
3.732
5.4641
2.2022
2.866
3.732
4.5981
4.5981
5.4641
4.5981
2.7858
2.7858
4.582
6.3741
3.732
5.4641
5.48
6.3821
3.732
5.4641
4.5981
2.5932
2.5932
4.0415
6.9074
3.1951
6.001
5.4777
6.9203
6.001
4.5981
-3.7846
-2.2846
1.7154
0.7154
1.2154
-2.7846
0.7154
2.2154
0.2154
1.7154
-0.7846
2.0201
0.4106
3.2569
2.2222
-1.2846
-1.2846
3.7846
3.2638
-2.2846
-2.2846
-2.7846
2.6094
-0.1787
3.5606
1.906
-0.9746
-0.9746
4.4046
3.5717
-2.5946
-3.4046
8
8
8
8
8
8
8
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8
8
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8
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8
8
8
8
8
8
8
3
3
3
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
427
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07BB0000000000000000000000000000001600000003C6080000000000058B1F400001C00040000000C08C11E043DD0B71C5800A1033467670082802D3112A029D82038749A8868E2C0D9D1942408688002C8C8271080800E00000040000000200000008000000040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C16H10N4O2/c21-20(22)12-5-3-4-11(8-12)16-15-9-17-10-19(15)14-7-2-1-6-13(14)18-16/h1-10H
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
KMOQTVWXBQQYMA-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
290.080376
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C16H10N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
290.2762
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)N=C(C3=CN=CN23)C4=CC(=CC=C4)[N+](=O)[O-]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)N=C(C3=CN=CN23)C4=CC(=CC=C4)[N+](=O)[O-]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
76
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
290.080376
22
0
0
0
0
0
0
0
1
1