3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one

Formula:C23H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C23H15N3O5
Smiles	[O-][N+](c1cc(/C=C/C(N2c(cc3)cc4c3OCO4)=Nc(cccc3)c3C2=O)ccc1)=O
InChI	InChI=1S/C23H15N3O5/c27-23-18-6-1-2-7-19(18)24-22(11-8-15-4-3-5-17(12-15)26(28)29)25(23)16-9-10-20-21(13-16)31-14-30-20/h1-13H,14H2
InChIK	OYROCFPKVLSZQC-UHFFFAOYSA-N
TotalMolweight	413.388
Molweight	413.388
MonoisotopicMass	413.101172
CLogP	3.4999
CLogS	-6.229
H Acceptors	8
TotalSurfaceArea	300.73
Relative PSA	0.2611
PolarSurfaceArea	96.95
Druglikeness	-3.3935
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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