(E)-1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C14H14NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| 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 |
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