[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3,4-dichlorobenzoate

Formula:C16H9O3Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3,4-dichlorobenzoate is a drug-like molecule.

MolName	[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3,4-dichlorobenzoate
MolecularFormula	C16H9O3Cl3
Smiles	O=C(/C=C/OC(c(cc1)cc(Cl)c1Cl)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C16H9Cl3O3/c17-12-4-1-10(2-5-12)15(20)7-8-22-16(21)11-3-6-13(18)14(19)9-11/h1-9H
InChIK	JNBYBUHQEJMXQU-UHFFFAOYSA-N
TotalMolweight	355.603
Molweight	355.603
MonoisotopicMass	353.961726
CLogP	4.5585
CLogS	-6.075
H Acceptors	3
TotalSurfaceArea	251.28
Relative PSA	0.14358
PolarSurfaceArea	43.37
Druglikeness	-0.40359
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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