70698651
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7.7534
5.1014
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
5.9674
4.2354
5.9834
6.8855
5.9674
4.2354
5.1014
5.9674
2.9991
3.5923
3.0966
4.5449
7.4108
1.8721
1.3933
2.1279
6.5044
3.6984
5.981
6.5044
3.6984
5.6574
6.5044
6.2774
4.0105
-3.5346
1.9654
0.9654
1.4654
0.9654
0.6606
0.4654
2.4654
1.9654
-0.2899
2.2701
-0.5346
3.5069
2.4722
-0.4961
-1.0346
-1.0346
4.0346
3.5138
-2.0346
-2.0346
-2.5346
-4.0346
-0.9095
-0.3772
2.8594
3.8106
2.156
0.1106
-0.624
-1.1028
-0.7246
-0.7246
4.6546
-2.3446
-2.3446
-4.5716
-4.3446
-3.4977
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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
429
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B21000000000000000000000000000001600000003C6080000000000058B1F400001F00000000000C0C819E0E37D6B70C1C00A0032463640082882D3132A009D8203E7C988C6EE2C4F9DB9434286CC013C8E82790D0E30E20000000000000204000000000000040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-7-fluoranyl-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H16FN3O/c1-3-15-19-18(12-4-7-14(24-2)8-5-12)22-16-10-13(20)6-9-17(16)23(19)11-21-15/h4-11H,3H2,1-2H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
WUDGGNUNHKHXIO-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
321.12774
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H16FN3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
321.348243
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC1=C2C(=NC3=C(N2C=N1)C=CC(=C3)F)C4=CC=C(C=C4)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC1=C2C(=NC3=C(N2C=N1)C=CC(=C3)F)C4=CC=C(C=C4)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
39.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
321.12774
24
0
0
0
0
0
0
0
1
1