3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium

Formula:C21H15N4O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H15N4O3
Smiles	C1Oc(ccc(-[n+]2c(-c3ccco3)[nH]c3nc4ccccc4nc23)c2)c2OC1
InChI	InChI=1S/C21H14N4O3/c1-2-5-15-14(4-1)22-19-21(23-15)25(20(24-19)17-6-3-9-26-17)13-7-8-16-18(12-13)28-11-10-27-16/h1-9,12H,10-11H2/p+1
InChIK	YCICJPMNSCVKFU-UHFFFAOYSA-O
TotalMolweight	371.375
Molweight	371.375
MonoisotopicMass	371.114416
CLogP	2.7714
CLogS	-8.289
H Acceptors	7
H Donors	1
TotalSurfaceArea	270.08
Relative PSA	0.26955
PolarSurfaceArea	77.05
Druglikeness	-7.4268
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	2
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Aromatic Nitrogens	4
StereoCon

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