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

Formula:C16H10O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3-fluorobenzoate is a drug-like molecule.

MolName	[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3-fluorobenzoate
MolecularFormula	C16H10O3ClF
Smiles	O=C(/C=C/OC(c1cc(F)ccc1)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C16H10ClFO3/c17-13-6-4-11(5-7-13)15(19)8-9-21-16(20)12-2-1-3-14(18)10-12/h1-10H
InChIK	BHXOHCMMUCELHR-UHFFFAOYSA-N
TotalMolweight	304.703
Molweight	304.703
MonoisotopicMass	304.03025
CLogP	3.4473
CLogS	-4.917
H Acceptors	3
TotalSurfaceArea	226.79
Relative PSA	0.15909
PolarSurfaceArea	43.37
Druglikeness	-1.7436
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
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	2
StereoCon

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