(E)-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
Molecular Formula : C16H11NOF4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one |
MolecularFormula : C16H11NOF4 |
Smiles : O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c(cc1)ccc1F |
InChI : InChI=1S/C16H11F4NO/c17-13-5-1-11(2-6-13)15(22)9-10-21-14-7-3-12(4-8-14)16(18,19)20/h1-10,21H |
InChIK : ZKMYVURPDXONPH-UHFFFAOYSA-N |
TotalMolweight : 309.261 |
Molweight : 309.261 |
MonoisotopicMass : 309.077676 |
CLogP : 3.4236 |
CLogS : -4.878 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 224.54 |
Relative PSA : 0.10911 |
PolarSurfaceArea : 29.1 |
Druglikeness : -6.6047 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 6 |
StereoCon : |