[2-[(Z)-[2-(2,4-dichlorophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] benzoate

Formula:C28H17N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[2-(2,4-dichlorophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[2-(2,4-dichlorophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] benzoate
MolecularFormula	C28H17N3O3Cl2
Smiles	O=C(c1ccccc1)Oc1c(/C=N\N(C(c(ccc(Cl)c2)c2Cl)=Nc2c3cccc2)C3=O)cccc1
InChI	InChI=1S/C28H17Cl2N3O3/c29-20-14-15-21(23(30)16-20)26-32-24-12-6-5-11-22(24)27(34)33(26)31-17-19-10-4-7-13-25(19)36-28(35)18-8-2-1-3-9-18/h1-17H
InChIK	OAAMEQWQKCNRFT-UHFFFAOYSA-N
TotalMolweight	514.367
Molweight	514.367
MonoisotopicMass	513.064696
CLogP	6.761
CLogS	-7.742
H Acceptors	6
TotalSurfaceArea	373.41
Relative PSA	0.16778
PolarSurfaceArea	71.33
Druglikeness	3.5432
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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