| MolName | (E)-3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C15H10NOCl3 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C15H10Cl3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-9-12(17)6-7-13(14)18/h1-9H,(H,19,20) |
| InChIK | KQDFXLOLTLDGTB-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 | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide