[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Formula:C17H12O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
MolecularFormula	C17H12O3ClF
Smiles	O=C(COC(/C=C/c(cc1)ccc1Cl)=O)c(cc1)ccc1F
InChI	InChI=1S/C17H12ClFO3/c18-14-6-1-12(2-7-14)3-10-17(21)22-11-16(20)13-4-8-15(19)9-5-13/h1-10H,11H2
InChIK	NXMNKESJCSUBAM-UHFFFAOYSA-N
TotalMolweight	318.73
Molweight	318.73
MonoisotopicMass	318.0459
CLogP	3.5685
CLogS	-4.793
H Acceptors	3
TotalSurfaceArea	240.55
Relative PSA	0.14999
PolarSurfaceArea	43.37
Druglikeness	-1.8858
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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