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

Formula:C21H13N4BrCl Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-(4-bromophenyl)-3-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	2-(4-bromophenyl)-3-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H13N4BrCl
Smiles	Clc(cc1)ccc1-[n+]1c(-c(cc2)ccc2Br)[nH]c2nc3ccccc3nc12
InChI	InChI=1S/C21H12BrClN4/c22-14-7-5-13(6-8-14)20-26-19-21(25-18-4-2-1-3-17(18)24-19)27(20)16-11-9-15(23)10-12-16/h1-12H/p+1
InChIK	UGMAVOYEHOFSHH-UHFFFAOYSA-O
TotalMolweight	436.719
Molweight	436.719
MonoisotopicMass	435.001209
CLogP	4.8981
CLogS	-10.327
H Acceptors	4
H Donors	1
TotalSurfaceArea	280.42
Relative PSA	0.13797
PolarSurfaceArea	45.45
Druglikeness	-2.6308
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	4
Aromatic Nitrogens	4
StereoCon

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