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

Formula:C22H14N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
MolecularFormula	C22H14N2O2Cl2
Smiles	Oc(cc1)ccc1N(C(/C=C/c(ccc(Cl)c1)c1Cl)=Nc1c2cccc1)C2=O
InChI	InChI=1S/C22H14Cl2N2O2/c23-15-7-5-14(19(24)13-15)6-12-21-25-20-4-2-1-3-18(20)22(28)26(21)16-8-10-17(27)11-9-16/h1-13,27H
InChIK	XCWWWNSXLDTNAO-UHFFFAOYSA-N
TotalMolweight	409.271
Molweight	409.271
MonoisotopicMass	408.043232
CLogP	5.1764
CLogS	-6.234
H Acceptors	4
H Donors	1
TotalSurfaceArea	293.99
Relative PSA	0.14014
PolarSurfaceArea	52.9
Druglikeness	1.8214
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
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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