| MolName | 2-[4-chloro-2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide |
| MolecularFormula | C23H14N2O2Cl4 |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c(cc(cc1)Cl)c1OCC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C23H14Cl4N2O2/c24-17-3-1-14(2-4-17)16(12-28)9-15-10-18(25)5-8-22(15)31-13-23(30)29-19-6-7-20(26)21(27)11-19/h1-11H,13H2,(H,29,30) |
| InChIK | ITZQQCRHPGIIEP-UHFFFAOYSA-N |
| TotalMolweight | 492.188 |
| Molweight | 492.188 |
| MonoisotopicMass | 489.980936 |
| CLogP | 6.479 |
| CLogS | -7.865 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 353.85 |
| Relative PSA | 0.13582 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.8977 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-chloro-2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide | 2 - 2-[4-chloro-2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide