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

Formula:C20H18N4OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	2-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C20H18N4OCl
Smiles	Clc1cc(-c2[n+](C[C@H]3OCCC3)c3nc4ccccc4nc3[nH]2)ccc1
InChI	InChI=1S/C20H17ClN4O/c21-14-6-3-5-13(11-14)19-24-18-20(25(19)12-15-7-4-10-26-15)23-17-9-2-1-8-16(17)22-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2/p+1/t15-/m0/s1
InChIK	BMJHJRINWVSJKW-HNNXBMFYSA-O
TotalMolweight	365.843
Molweight	365.843
MonoisotopicMass	365.116913
CLogP	-0.2625
CLogS	-6.257
H Acceptors	5
H Donors	1
TotalSurfaceArea	266.07
Relative PSA	0.183
PolarSurfaceArea	54.68
Druglikeness	-1.8295
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Aromatic Nitrogens	4
StereoCon	this enantiomer

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