3-(4-bromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one

Formula:C22H13N2OBrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.

MolName	3-(4-bromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H13N2OBrCl2
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(ccc(Cl)c2)c2Cl)N1c(cc1)ccc1Br
InChI	InChI=1S/C22H13BrCl2N2O/c23-15-7-10-17(11-8-15)27-21(12-6-14-5-9-16(24)13-19(14)25)26-20-4-2-1-3-18(20)22(27)28/h1-13H
InChIK	UHUGKELIDKAISH-UHFFFAOYSA-N
TotalMolweight	472.168
Molweight	472.168
MonoisotopicMass	469.958828
CLogP	6.2473
CLogS	-7.364
H Acceptors	3
TotalSurfaceArea	306.27
Relative PSA	0.091749
PolarSurfaceArea	32.67
Druglikeness	0.018632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
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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