MolName : (E)-1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
MolecularFormula : C14H14NO3F3 |
Smiles : O=C(/C=C/c(cc1)ccc1OC(F)(F)F)N1CCOCC1 |
InChI : InChI=1S/C14H14F3NO3/c15-14(16,17)21-12-4-1-11(2-5-12)3-6-13(19)18-7-9-20-10-8-18/h1-6H,7-10H2 |
InChIK : ORPNTVBIKUFTMO-UHFFFAOYSA-N |
TotalMolweight : 301.263 |
Molweight : 301.263 |
MonoisotopicMass : 301.092578 |
CLogP : 2.7621 |
CLogS : -2.719 |
H Acceptors : 4 |
TotalSurfaceArea : 218.81 |
Relative PSA : 0.16722 |
PolarSurfaceArea : 38.77 |
Druglikeness : -6.4032 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amides : 1 |
StereoCon : |