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

Formula:C21H21N4S Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H21N4S
Smiles	C(C[n+]1c(-c2cccs2)[nH]c2nc3ccccc3nc12)C1=CCCCC1
InChI	InChI=1S/C21H20N4S/c1-2-7-15(8-3-1)12-13-25-20(18-11-6-14-26-18)24-19-21(25)23-17-10-5-4-9-16(17)22-19/h4-7,9-11,14H,1-3,8,12-13H2/p+1
InChIK	PZOPZWAEMCKCLN-UHFFFAOYSA-O
TotalMolweight	361.492
Molweight	361.492
MonoisotopicMass	361.148691
CLogP	0.9555
CLogS	-6.389
H Acceptors	4
H Donors	1
TotalSurfaceArea	276.32
Relative PSA	0.2137
PolarSurfaceArea	73.69
Druglikeness	-4.0635
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	6
Aromatic Nitrogens	4
StereoCon

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