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

Formula:C20H13N4O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C20H13N4O3
Smiles	C1Oc(cc(cc2)-[n+]3c(-c4ccco4)[nH]c4nc5ccccc5nc34)c2O1
InChI	InChI=1S/C20H12N4O3/c1-2-5-14-13(4-1)21-18-20(22-14)24(19(23-18)16-6-3-9-25-16)12-7-8-15-17(10-12)27-11-26-15/h1-10H,11H2/p+1
InChIK	CDJHPBFOJBZCIC-UHFFFAOYSA-O
TotalMolweight	357.348
Molweight	357.348
MonoisotopicMass	357.098766
CLogP	2.904
CLogS	-8.818
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.32
Relative PSA	0.28402
PolarSurfaceArea	77.05
Druglikeness	-0.41819
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	3
Aromatic Nitrogens	4
StereoCon

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