3-(2,5-dibromophenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one

Formula:C22H13N3O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2,5-dibromophenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(2,5-dibromophenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H13N3O3Br2
Smiles	[O-][N+](c1c(/C=C/C(N2c(cc(cc3)Br)c3Br)=Nc(cccc3)c3C2=O)cccc1)=O
InChI	InChI=1S/C22H13Br2N3O3/c23-15-10-11-17(24)20(13-15)26-21(25-18-7-3-2-6-16(18)22(26)28)12-9-14-5-1-4-8-19(14)27(29)30/h1-13H
InChIK	BZOAPXOEPZHDKK-UHFFFAOYSA-N
TotalMolweight	527.171
Molweight	527.171
MonoisotopicMass	524.932364
CLogP	4.8389
CLogS	-7.186
H Acceptors	6
TotalSurfaceArea	317.73
Relative PSA	0.18418
PolarSurfaceArea	78.49
Druglikeness	-5.1595
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4
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
Amides	1
AcidicOxygens	1
StereoCon

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