| MolName | 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C17H14N3O3Cl3 |
| Smiles | O=C(CNC(COc(cccc1)c1Cl)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H14Cl3N3O3/c18-12-6-5-11(14(20)7-12)8-22-23-16(24)9-21-17(25)10-26-15-4-2-1-3-13(15)19/h1-8H,9-10H2,(H,21,25)(H,23,24) |
| InChIK | WXBVLYIKJFKZOJ-UHFFFAOYSA-N |
| TotalMolweight | 414.675 |
| Molweight | 414.675 |
| MonoisotopicMass | 413.010073 |
| CLogP | 3.6782 |
| CLogS | -5.476 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.98 |
| Relative PSA | 0.23505 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide