(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Formula:C10H8NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C10H8NO2F3 |
| Smiles | NC(/C=C/c(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C10H8F3NO2/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H2,14,15) |
| InChIK | JJVOFARCSZCHEV-UHFFFAOYSA-N |
| TotalMolweight | 231.173 |
| Molweight | 231.173 |
| MonoisotopicMass | 231.050713 |
| CLogP | 2.1751 |
| CLogS | -3.098 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 165.49 |
| Relative PSA | 0.23149 |
| PolarSurfaceArea | 52.32 |
| Druglikeness | -9.1723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide | 2 - (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off