(E)-3-[3-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide
Formula:C16H9NOF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[3-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide |
| MolecularFormula | C16H9NOF6 |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc(c(F)c1F)ccc1F |
| InChI | InChI=1S/C16H9F6NO/c17-11-5-6-12(15(19)14(11)18)23-13(24)7-4-9-2-1-3-10(8-9)16(20,21)22/h1-8H,(H,23,24) |
| InChIK | YGBYEBDBCBEKDI-UHFFFAOYSA-N |
| TotalMolweight | 345.241 |
| Molweight | 345.241 |
| MonoisotopicMass | 345.058832 |
| CLogP | 4.287 |
| CLogS | -5.218 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 237.24 |
| Relative PSA | 0.10327 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.6289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-3-[3-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide | 2 - (E)-3-[3-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide
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