| MolName | 4-(2,4-dichlorophenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide |
| MolecularFormula | C17H15N2O2Cl2F |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H15Cl2FN2O2/c18-13-5-8-16(15(19)10-13)24-9-1-2-17(23)22-21-11-12-3-6-14(20)7-4-12/h3-8,10-11H,1-2,9H2,(H,22,23) |
| InChIK | PEUOGLSTHOASBM-UHFFFAOYSA-N |
| TotalMolweight | 369.222 |
| Molweight | 369.222 |
| MonoisotopicMass | 368.04946 |
| CLogP | 4.9981 |
| CLogS | -5.827 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.46 |
| Relative PSA | 0.16703 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.2509 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-(2,4-dichlorophenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide | 2 - 4-(2,4-dichlorophenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide