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

Formula:C20H18N4OBr Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-(4-bromophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	2-(4-bromophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C20H18N4OBr
Smiles	Brc(cc1)ccc1-c1[n+](C[C@@H]2OCCC2)c2nc3ccccc3nc2[nH]1
InChI	InChI=1S/C20H17BrN4O/c21-14-9-7-13(8-10-14)19-24-18-20(25(19)12-15-4-3-11-26-15)23-17-6-2-1-5-16(17)22-18/h1-2,5-10,15H,3-4,11-12H2/p+1/t15-/m1/s1
InChIK	OYKUZQCVUUMMKU-OAHLLOKOSA-O
TotalMolweight	410.294
Molweight	410.294
MonoisotopicMass	409.066397
CLogP	-0.1433
CLogS	-6.355
H Acceptors	5
H Donors	1
TotalSurfaceArea	269.28
Relative PSA	0.18082
PolarSurfaceArea	54.68
Druglikeness	-3.7232
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.46154
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
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon	this enantiomer

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