| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromophenoxy)acetamide |
| MolecularFormula | C15H11N2O2Br2Cl |
| Smiles | O=C(COc(ccc(Br)c1)c1Br)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C15H11Br2ClN2O2/c16-11-5-6-14(12(17)7-11)22-9-15(21)20-19-8-10-3-1-2-4-13(10)18/h1-8H,9H2,(H,20,21) |
| InChIK | PQBVWNIJKQUREX-UHFFFAOYSA-N |
| TotalMolweight | 446.525 |
| Molweight | 446.525 |
| MonoisotopicMass | 443.887577 |
| CLogP | 4.8329 |
| CLogS | -5.905 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.43 |
| Relative PSA | 0.17466 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4378 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromophenoxy)acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromophenoxy)acetamide