70698650
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4.2354
5.9674
2.7056
4.2354
3.2892
5.1014
5.1014
5.9674
2.9785
3.2892
5.1014
5.0854
6.8774
2
5.9834
4.2354
5.9674
6.8855
4.2354
5.9674
5.1014
2.9991
3.5923
3.0966
4.5449
7.4108
1.8721
1.3933
2.1279
5.981
3.6984
6.5044
7.4236
3.6984
6.5044
5.1014
1.2154
0.2154
0.7154
0.2154
-0.0894
1.7154
-0.2846
1.2154
-1.0399
1.5201
-1.2846
2.7569
1.7222
-1.2461
3.2846
-1.7846
-1.7846
2.7638
-2.7846
-2.7846
-3.2846
-1.6595
-1.1272
2.1094
3.0606
1.406
-0.6394
-1.374
-1.8528
3.9046
-1.4746
-1.4746
3.0717
-3.0946
-3.0946
-3.9046
8
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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
352
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
2
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07B00000000000000000000000000000001600000003C6080000000000058B1F400001C00000000000C08811E0437D0B70C1800A0032463640082802D3112A009D8203874988868E2C0D9D1942408688002C8C8271080C00E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-4-phenylimidazo[1,5-a]quinoxaline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-4-phenylimidazo[1,5-a]quinoxaline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C18H15N3/c1-2-14-18-17(13-8-4-3-5-9-13)20-15-10-6-7-11-16(15)21(18)12-19-14/h3-12H,2H2,1H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
HTPYNMBXWRVBHY-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
273.126597
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H15N3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
273.3318
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC1=C2C(=NC3=CC=CC=C3N2C=N1)C4=CC=CC=C4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC1=C2C(=NC3=CC=CC=C3N2C=N1)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
30.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
273.126597
21
0
0
0
0
0
0
0
1
1