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

Formula:C24H19N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
MolecularFormula	C24H19N3O3
Smiles	[O-][N+](c1c(/C=C/C(N2CCc3ccccc3)=Nc(cccc3)c3C2=O)cccc1)=O
InChI	InChI=1S/C24H19N3O3/c28-24-20-11-5-6-12-21(20)25-23(26(24)17-16-18-8-2-1-3-9-18)15-14-19-10-4-7-13-22(19)27(29)30/h1-15H,16-17H2
InChIK	TXJCWRIONDXCHM-UHFFFAOYSA-N
TotalMolweight	397.433
Molweight	397.433
MonoisotopicMass	397.142642
CLogP	3.7415
CLogS	-5.108
H Acceptors	6
TotalSurfaceArea	307.99
Relative PSA	0.19001
PolarSurfaceArea	78.49
Druglikeness	-1.8168
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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