3-(3-fluorophenyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium

Formula:C21H13N4F2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(3-fluorophenyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(3-fluorophenyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H13N4F2
Smiles	Fc(cc1)ccc1-c([nH]c1nc2ccccc2nc11)[n+]1-c1cccc(F)c1
InChI	InChI=1S/C21H12F2N4/c22-14-10-8-13(9-11-14)20-26-19-21(25-18-7-2-1-6-17(18)24-19)27(20)16-5-3-4-15(23)12-16/h1-12H/p+1
InChIK	BFIZLIQUAWYPAF-UHFFFAOYSA-O
TotalMolweight	359.358
Molweight	359.358
MonoisotopicMass	359.110827
CLogP	3.7685
CLogS	-9.385
H Acceptors	4
H Donors	1
TotalSurfaceArea	259.07
Relative PSA	0.14934
PolarSurfaceArea	45.45
Druglikeness	-2.2935
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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