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

Formula:C22H13N2OBr2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)quinazolin-4-one
MolecularFormula	C22H13N2OBr2Cl
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2Cl)N1c(cc(cc1)Br)c1Br
InChI	InChI=1S/C22H13Br2ClN2O/c23-15-8-11-18(24)20(13-15)27-21(12-7-14-5-9-16(25)10-6-14)26-19-4-2-1-3-17(19)22(27)28/h1-13H
InChIK	PSOGVPYDFILGPC-UHFFFAOYSA-N
TotalMolweight	516.619
Molweight	516.619
MonoisotopicMass	513.908312
CLogP	6.3665
CLogS	-7.462
H Acceptors	3
TotalSurfaceArea	309.48
Relative PSA	0.090797
PolarSurfaceArea	32.67
Druglikeness	0.018632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	2
Amides	1
StereoCon

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