(Z)-1-(4-chlorophenoxy)-4-(4-chlorophenyl)-4-hydroxybut-3-en-2-one

Formula:C16H12O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-1-(4-chlorophenoxy)-4-(4-chlorophenyl)-4-hydroxybut-3-en-2-one is a drug-like molecule.

MolName	(Z)-1-(4-chlorophenoxy)-4-(4-chlorophenyl)-4-hydroxybut-3-en-2-one
MolecularFormula	C16H12O3Cl2
Smiles	O/C(/c(cc1)ccc1Cl)=C\C(COc(cc1)ccc1Cl)=O
InChI	InChI=1S/C16H12Cl2O3/c17-12-3-1-11(2-4-12)16(20)9-14(19)10-21-15-7-5-13(18)6-8-15/h1-9,20H,10H2
InChIK	LIOYTXAOECXSCW-UHFFFAOYSA-N
TotalMolweight	323.174
Molweight	323.174
MonoisotopicMass	322.016349
CLogP	3.6772
CLogS	-4.401
H Acceptors	3
H Donors	1
TotalSurfaceArea	236.43
Relative PSA	0.15286
PolarSurfaceArea	46.53
Druglikeness	1.1081
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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