(E)-N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C17H13NOF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C17H13NOF4 |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)NCc(cc1)ccc1F |
| InChI | InChI=1S/C17H13F4NO/c18-15-7-4-13(5-8-15)11-22-16(23)9-6-12-2-1-3-14(10-12)17(19,20)21/h1-10H,11H2,(H,22,23) |
| InChIK | KGKCETLZPNYPBD-UHFFFAOYSA-N |
| TotalMolweight | 323.288 |
| Molweight | 323.288 |
| MonoisotopicMass | 323.093326 |
| CLogP | 3.7948 |
| CLogS | -4.406 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.3 |
| Relative PSA | 0.10281 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.0982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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