| MolName | 2-[2-chloro-4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide |
| MolecularFormula | C23H15N2O2Cl3 |
| Smiles | N#C/C(/c1ccccc1)=C\c(cc1)cc(Cl)c1OCC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C23H15Cl3N2O2/c24-19-8-7-18(12-20(19)25)28-23(29)14-30-22-9-6-15(11-21(22)26)10-17(13-27)16-4-2-1-3-5-16/h1-12H,14H2,(H,28,29) |
| InChIK | VBPZRVIGBYBZHX-UHFFFAOYSA-N |
| TotalMolweight | 457.743 |
| Molweight | 457.743 |
| MonoisotopicMass | 456.019909 |
| CLogP | 5.873 |
| CLogS | -7.129 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.43 |
| Relative PSA | 0.14201 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.8977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-chloro-4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide | 2 - 2-[2-chloro-4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide