(E)-3-(4-phenylmethoxyphenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one

Formula:C22H15O2Cl3 Mutagenic:low Tumorigenic:low Reproductive Effective:high (E)-3-(4-phenylmethoxyphenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(4-phenylmethoxyphenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
MolecularFormula	C22H15O2Cl3
Smiles	O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c(c(Cl)c1Cl)ccc1Cl
InChI	InChI=1S/C22H15Cl3O2/c23-19-12-11-18(21(24)22(19)25)20(26)13-8-15-6-9-17(10-7-15)27-14-16-4-2-1-3-5-16/h1-13H,14H2
InChIK	CWOGNZLFLRLJAZ-UHFFFAOYSA-N
TotalMolweight	417.718
Molweight	417.718
MonoisotopicMass	416.013761
CLogP	6.4699
CLogS	-7.389
H Acceptors	2
TotalSurfaceArea	307.05
Relative PSA	0.075037
PolarSurfaceArea	26.3
Druglikeness	-0.033854
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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