6-bromo-2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one

Formula:C22H14N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-bromo-2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one is a drug-like molecule.

MolName	6-bromo-2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
MolecularFormula	C22H14N3O3Br
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3ccccc3)=Nc(ccc(Br)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C22H14BrN3O3/c23-16-9-12-20-19(14-16)22(27)25(17-4-2-1-3-5-17)21(24-20)13-8-15-6-10-18(11-7-15)26(28)29/h1-14H
InChIK	NCOWZYIKTWSXGG-UHFFFAOYSA-N
TotalMolweight	448.275
Molweight	448.275
MonoisotopicMass	447.021853
CLogP	4.1137
CLogS	-6.352
H Acceptors	6
TotalSurfaceArea	299.1
Relative PSA	0.19565
PolarSurfaceArea	78.49
Druglikeness	-5.1595
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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