(E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)prop-2-en-1-one
Molecular Formula : C17H10NOClF6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)prop-2-en-1-one |
MolecularFormula : C17H10NOClF6 |
Smiles : O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(cc1)ccc1Cl |
InChI : InChI=1S/C17H10ClF6NO/c18-13-3-1-10(2-4-13)15(26)5-6-25-14-8-11(16(19,20)21)7-12(9-14)17(22,23)24/h1-9,25H |
InChIK : LHTFXOBLFBUHPY-UHFFFAOYSA-N |
TotalMolweight : 393.713 |
Molweight : 393.713 |
MonoisotopicMass : 393.035509 |
CLogP : 4.7771 |
CLogS : -6.078 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 263.07 |
Relative PSA : 0.093131 |
PolarSurfaceArea : 29.1 |
Druglikeness : -6.532 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53846 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 10 |
StereoCon : |