(E)-N-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H11NOF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H11NOF4 |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc1cccc(F)c1 |
| InChI | InChI=1S/C16H11F4NO/c17-13-5-2-6-14(10-13)21-15(22)8-7-11-3-1-4-12(9-11)16(18,19)20/h1-10H,(H,21,22) |
| InChIK | JZFLEBZUZJTNDO-UHFFFAOYSA-N |
| TotalMolweight | 309.261 |
| Molweight | 309.261 |
| MonoisotopicMass | 309.077676 |
| CLogP | 4.0854 |
| CLogS | -4.59 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 224.54 |
| Relative PSA | 0.10911 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.6289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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