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

Formula:C22H13N3O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)quinazolin-4-one
MolecularFormula	C22H13N3O3BrCl
Smiles	[O-][N+](c(cc1)cc(Cl)c1N(C(/C=C/c(cc1)ccc1Br)=Nc1c2cccc1)C2=O)=O
InChI	InChI=1S/C22H13BrClN3O3/c23-15-8-5-14(6-9-15)7-12-21-25-19-4-2-1-3-17(19)22(28)26(21)20-11-10-16(27(29)30)13-18(20)24/h1-13H
InChIK	OGQUGEZNLOKCCD-UHFFFAOYSA-N
TotalMolweight	482.72
Molweight	482.72
MonoisotopicMass	480.98288
CLogP	4.7197
CLogS	-7.088
H Acceptors	6
TotalSurfaceArea	314.52
Relative PSA	0.18606
PolarSurfaceArea	78.49
Druglikeness	-5.0848
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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