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

Formula:C22H14N4O2Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C22H14N4O2Cl
Smiles	Clc(cc1)ccc1-c([nH]c1nc2ccccc2nc11)[n+]1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C22H13ClN4O2/c23-14-7-5-13(6-8-14)21-26-20-22(25-17-4-2-1-3-16(17)24-20)27(21)15-9-10-18-19(11-15)29-12-28-18/h1-11H,12H2/p+1
InChIK	RRQPVYXDAFTDEL-UHFFFAOYSA-O
TotalMolweight	401.832
Molweight	401.832
MonoisotopicMass	401.080528
CLogP	4.2843
CLogS	-10.204
H Acceptors	6
H Donors	1
TotalSurfaceArea	282.05
Relative PSA	0.20808
PolarSurfaceArea	63.91
Druglikeness	-0.87486
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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