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

Formula:C22H14N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-fluorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(4-fluorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H14N3O3F
Smiles	[O-][N+](c1ccc(/C=C/C(N2c(cc3)ccc3F)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C22H14FN3O3/c23-16-8-12-17(13-9-16)25-21(24-20-4-2-1-3-19(20)22(25)27)14-7-15-5-10-18(11-6-15)26(28)29/h1-14H
InChIK	CXCFEDLTDZUJCD-UHFFFAOYSA-N
TotalMolweight	387.369
Molweight	387.369
MonoisotopicMass	387.10192
CLogP	3.4893
CLogS	-5.832
H Acceptors	6
TotalSurfaceArea	286.82
Relative PSA	0.20403
PolarSurfaceArea	78.49
Druglikeness	-4.7095
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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