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

Formula:C16H10O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate is a drug-like molecule.

MolName	[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate
MolecularFormula	C16H10O3Cl2
Smiles	O=C(/C=C/OC(c(cc1)ccc1Cl)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C16H10Cl2O3/c17-13-5-1-11(2-6-13)15(19)9-10-21-16(20)12-3-7-14(18)8-4-12/h1-10H
InChIK	SUVAXDPTXGBXRL-UHFFFAOYSA-N
TotalMolweight	321.158
Molweight	321.158
MonoisotopicMass	320.000699
CLogP	3.9525
CLogS	-5.339
H Acceptors	3
TotalSurfaceArea	235.86
Relative PSA	0.15297
PolarSurfaceArea	43.37
Druglikeness	-0.40359
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
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	1
Symmetricatoms	4
StereoCon

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