(E)-2-cyano-N-(2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C19H15N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C19H15N2OF3 |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C19H15F3N2O/c20-19(21,22)17-9-5-4-8-15(17)12-16(13-23)18(25)24-11-10-14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H,24,25) |
| InChIK | RKHKIFRKFOJUCB-UHFFFAOYSA-N |
| TotalMolweight | 344.335 |
| Molweight | 344.335 |
| MonoisotopicMass | 344.113647 |
| CLogP | 3.9761 |
| CLogS | -4.476 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.63 |
| Relative PSA | 0.14328 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -8.3924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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