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

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

MolName	(E)-1-(2-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C15H9O2Cl3
Smiles	Oc(c(/C=C/C(c(cccc1)c1Cl)=O)cc(Cl)c1)c1Cl
InChI	InChI=1S/C15H9Cl3O2/c16-10-7-9(15(20)13(18)8-10)5-6-14(19)11-3-1-2-4-12(11)17/h1-8,20H
InChIK	NGJNCPUDHJBUDA-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	0.55
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
StereoCon

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