(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C10H8NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C10H8NOF3 |
| Smiles | NC(/C=C/c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C10H8F3NO/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H2,14,15) |
| InChIK | BPRFEFAHXYCKRO-UHFFFAOYSA-N |
| TotalMolweight | 215.174 |
| Molweight | 215.174 |
| MonoisotopicMass | 215.055798 |
| CLogP | 1.9244 |
| CLogS | -2.853 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 155.49 |
| Relative PSA | 0.18207 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | -8.3649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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