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

Formula:C19H12N4BrS Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(4-bromophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C19H12N4BrS
Smiles	Brc(cc1)ccc1-[n+]1c(-c2cccs2)[nH]c2nc3ccccc3nc12
InChI	InChI=1S/C19H11BrN4S/c20-12-7-9-13(10-8-12)24-18(16-6-3-11-25-16)23-17-19(24)22-15-5-2-1-4-14(15)21-17/h1-11H/p+1
InChIK	NYUDZEZRDNMPMI-UHFFFAOYSA-O
TotalMolweight	408.302
Molweight	408.302
MonoisotopicMass	406.996602
CLogP	4.3156
CLogS	-9.512
H Acceptors	4
H Donors	1
TotalSurfaceArea	260.94
Relative PSA	0.2263
PolarSurfaceArea	73.69
Druglikeness	0.068134
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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