| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-2-iodophenoxy)acetamide |
| MolecularFormula | C15H11N2O2BrClI |
| Smiles | O=C(COc(ccc(Cl)c1)c1I)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrClIN2O2/c16-11-3-1-10(2-4-11)8-19-20-15(21)9-22-14-6-5-12(17)7-13(14)18/h1-8H,9H2,(H,20,21) |
| InChIK | DJUONZNVJLQYBX-UHFFFAOYSA-N |
| TotalMolweight | 493.521 |
| Molweight | 493.521 |
| MonoisotopicMass | 491.873714 |
| CLogP | 4.5448 |
| CLogS | -6.087 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.08 |
| Relative PSA | 0.16973 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.8854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-2-iodophenoxy)acetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-2-iodophenoxy)acetamide