| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C15H10N2O3Br2Cl2 |
| Smiles | Oc(cc(/C=N\NC(COc(ccc(Cl)c1)c1Cl)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C15H10Br2Cl2N2O3/c16-10-5-11(17)13(22)3-8(10)6-20-21-15(23)7-24-14-2-1-9(18)4-12(14)19/h1-6,22H,7H2,(H,21,23) |
| InChIK | DRCPMABIEWCKKI-UHFFFAOYSA-N |
| TotalMolweight | 496.969 |
| Molweight | 496.969 |
| MonoisotopicMass | 493.843519 |
| CLogP | 5.0932 |
| CLogS | -6.345 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 285.2 |
| Relative PSA | 0.20726 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.4265 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide | 2 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide