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

Formula:C21H15N4O2S Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H15N4O2S
Smiles	C(c(cc1)cc2c1OCO2)[n+]1c(-c2cccs2)[nH]c2nc3ccccc3nc12
InChI	InChI=1S/C21H14N4O2S/c1-2-5-15-14(4-1)22-19-21(23-15)25(20(24-19)18-6-3-9-28-18)11-13-7-8-16-17(10-13)27-12-26-16/h1-10H,11-12H2/p+1
InChIK	QKHFJHUZUJHDTR-UHFFFAOYSA-O
TotalMolweight	387.442
Molweight	387.442
MonoisotopicMass	387.091571
CLogP	0.4744
CLogS	-6.553
H Acceptors	6
H Donors	1
TotalSurfaceArea	276.33
Relative PSA	0.28607
PolarSurfaceArea	92.15
Druglikeness	1.7638
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Aromatic Nitrogens	4
StereoCon

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