(E)-3-phenyl-N-(2,4,6-trichlorophenyl)prop-2-enamide
Formula:C15H10NOCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(E)-3-phenyl-N-(2,4,6-trichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(2,4,6-trichlorophenyl)prop-2-enamide |
| MolecularFormula | C15H10NOCl3 |
| Smiles | O=C(/C=C/c1ccccc1)Nc(c(Cl)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H10Cl3NO/c16-11-8-12(17)15(13(18)9-11)19-14(20)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,20) |
| InChIK | CXHYCBMCRQKTNA-UHFFFAOYSA-N |
| TotalMolweight | 326.609 |
| Molweight | 326.609 |
| MonoisotopicMass | 324.982795 |
| CLogP | 4.9543 |
| CLogS | -5.706 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 234.99 |
| Relative PSA | 0.10426 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.36294 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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