[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl] 4-(trifluoromethyl)benzoate

Formula:C17H10O3F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl] 4-(trifluoromethyl)benzoate is a drug-like molecule.

MolName	[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl] 4-(trifluoromethyl)benzoate
MolecularFormula	C17H10O3F4
Smiles	O=C(/C=C/OC(c1ccc(C(F)(F)F)cc1)=O)c(cc1)ccc1F
InChI	InChI=1S/C17H10F4O3/c18-14-7-3-11(4-8-14)15(22)9-10-24-16(23)12-1-5-13(6-2-12)17(19,20)21/h1-10H
InChIK	JITGUANFFXDMGD-UHFFFAOYSA-N
TotalMolweight	338.255
Molweight	338.255
MonoisotopicMass	338.056607
CLogP	3.6896
CLogS	-4.959
H Acceptors	3
TotalSurfaceArea	240.83
Relative PSA	0.14982
PolarSurfaceArea	43.37
Druglikeness	-7.7116
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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