(E)-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H10NOCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H10NOCl2F3 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H10Cl2F3NO/c17-11-7-5-10(13(18)9-11)6-8-15(23)22-14-4-2-1-3-12(14)16(19,20)21/h1-9H,(H,22,23) |
| InChIK | UMPKMEBLHNHAIG-UHFFFAOYSA-N |
| TotalMolweight | 360.161 |
| Molweight | 360.161 |
| MonoisotopicMass | 359.009152 |
| CLogP | 5.1966 |
| CLogS | -5.748 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 249.03 |
| Relative PSA | 0.098382 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.5529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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