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

Formula:C21H13N4ClF Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(3-chlorophenyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(3-chlorophenyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H13N4ClF
Smiles	Fc(cc1)ccc1-c([nH]c1nc2ccccc2nc11)[n+]1-c1cccc(Cl)c1
InChI	InChI=1S/C21H12ClFN4/c22-14-4-3-5-16(12-14)27-20(13-8-10-15(23)11-9-13)26-19-21(27)25-18-7-2-1-6-17(18)24-19/h1-12H/p+1
InChIK	QHJFZRZJTLEWRW-UHFFFAOYSA-O
TotalMolweight	375.813
Molweight	375.813
MonoisotopicMass	375.081276
CLogP	4.2737
CLogS	-9.807
H Acceptors	4
H Donors	1
TotalSurfaceArea	268.14
Relative PSA	0.14429
PolarSurfaceArea	45.45
Druglikeness	-2.1808
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	2
Aromatic Nitrogens	4
StereoCon

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