(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
Molecular Formula : C16H11NOClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one |
MolecularFormula : C16H11NOClF3 |
Smiles : O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c(cc1)ccc1Cl |
InChI : InChI=1S/C16H11ClF3NO/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 : PVEUNPJUYVWEFX-UHFFFAOYSA-N |
TotalMolweight : 325.716 |
Molweight : 325.716 |
MonoisotopicMass : 325.048125 |
CLogP : 3.9288 |
CLogS : -5.3 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 233.61 |
Relative PSA : 0.10488 |
PolarSurfaceArea : 29.1 |
Druglikeness : -6.532 |
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 : |