| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide |
| MolecularFormula | C17H15N2O2Cl3 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H15Cl3N2O2/c18-13-7-8-16(15(20)10-13)24-9-3-6-17(23)22-21-11-12-4-1-2-5-14(12)19/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,23) |
| InChIK | LAKFWLVIZNKMLC-UHFFFAOYSA-N |
| TotalMolweight | 385.677 |
| Molweight | 385.677 |
| MonoisotopicMass | 384.019909 |
| CLogP | 5.5033 |
| CLogS | -6.249 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.53 |
| Relative PSA | 0.16171 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 0.089105 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide