3-naphthalen-2-yl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

Formula:C26H17N3O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 3-naphthalen-2-yl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-naphthalen-2-yl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C26H17N3O3
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3cc4ccccc4cc3)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C26H17N3O3/c30-26-23-7-3-4-8-24(23)27-25(16-11-18-9-13-21(14-10-18)29(31)32)28(26)22-15-12-19-5-1-2-6-20(19)17-22/h1-17H
InChIK	ZIIDBULICVJJKS-UHFFFAOYSA-N
TotalMolweight	419.439
Molweight	419.439
MonoisotopicMass	419.126992
CLogP	4.5829
CLogS	-7.124
H Acceptors	6
TotalSurfaceArea	315.07
Relative PSA	0.18574
PolarSurfaceArea	78.49
Druglikeness	-3.3695
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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