(E)-3-(4-chlorophenyl)-1-(3,5-dichloro-2-hydroxyphenyl)prop-2-en-1-one

Formula:C15H9O2Cl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-3-(4-chlorophenyl)-1-(3,5-dichloro-2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-(3,5-dichloro-2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C15H9O2Cl3
Smiles	Oc(c(C(/C=C/c(cc1)ccc1Cl)=O)cc(Cl)c1)c1Cl
InChI	InChI=1S/C15H9Cl3O2/c16-10-4-1-9(2-5-10)3-6-14(19)12-7-11(17)8-13(18)15(12)20/h1-8,20H
InChIK	WWLYABRIEBRVJG-UHFFFAOYSA-N
TotalMolweight	327.593
Molweight	327.593
MonoisotopicMass	325.966811
CLogP	4.7761
CLogS	-5.752
H Acceptors	2
H Donors	1
TotalSurfaceArea	229.88
Relative PSA	0.11371
PolarSurfaceArea	37.3
Druglikeness	0.22165
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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