(E)-3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one

Formula:C15H9OCl3 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C15H9OCl3
Smiles	O=C(/C=C/c(cccc1)c1Cl)c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C15H9Cl3O/c16-12-4-2-1-3-10(12)6-8-15(19)11-5-7-13(17)14(18)9-11/h1-9H
InChIK	KXZODUXKLAXGEN-UHFFFAOYSA-N
TotalMolweight	311.594
Molweight	311.594
MonoisotopicMass	309.971896
CLogP	5.1218
CLogS	-6.048
H Acceptors	1
TotalSurfaceArea	223.53
Relative PSA	0.058337
PolarSurfaceArea	17.07
Druglikeness	0.19772
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
StereoCon

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