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

Formula:C23H22N4F Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C23H22N4F
Smiles	Fc(cc1)ccc1-c1[n+](CCC2=CCCCC2)c2nc3ccccc3nc2[nH]1
InChI	InChI=1S/C23H21FN4/c24-18-12-10-17(11-13-18)22-27-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-14-16-6-2-1-3-7-16/h4-6,8-13H,1-3,7,14-15H2/p+1
InChIK	OBSUSJXRGZQELL-UHFFFAOYSA-O
TotalMolweight	373.454
Molweight	373.454
MonoisotopicMass	373.182849
CLogP	1.0328
CLogS	-6.782
H Acceptors	4
H Donors	1
TotalSurfaceArea	286.73
Relative PSA	0.13494
PolarSurfaceArea	45.45
Druglikeness	-7.3698
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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