| MolName | N,N'-bis[(Z)-(3-iodophenyl)methylideneamino]oxamide |
| MolecularFormula | C16H12N4O2I2 |
| Smiles | O=C(C(N/N=C\c1cccc(I)c1)=O)N/N=C\c1cc(I)ccc1 |
| InChI | InChI=1S/C16H12I2N4O2/c17-13-5-1-3-11(7-13)9-19-21-15(23)16(24)22-20-10-12-4-2-6-14(18)8-12/h1-10H,(H,21,23)(H,22,24) |
| InChIK | MHICUTSADHWZGK-UHFFFAOYSA-N |
| TotalMolweight | 546.097 |
| Molweight | 546.097 |
| MonoisotopicMass | 545.904972 |
| CLogP | 3.4126 |
| CLogS | -6.15 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.52 |
| Relative PSA | 0.24537 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 3.7473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - N,N'-bis[(Z)-(3-iodophenyl)methylideneamino]oxamide | 2 - N,N'-bis[(Z)-(3-iodophenyl)methylideneamino]oxamide