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