| MolName | 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3-iodophenyl)acetamide |
| MolecularFormula | C15H14N3O2I |
| Smiles | N/C(/c1ccccc1)=N/OCC(Nc1cccc(I)c1)=O |
| InChI | InChI=1S/C15H14IN3O2/c16-12-7-4-8-13(9-12)18-14(20)10-21-19-15(17)11-5-2-1-3-6-11/h1-9H,10H2,(H2,17,19)(H,18,20) |
| InChIK | QPMZJCDQILAHNG-UHFFFAOYSA-N |
| TotalMolweight | 395.195 |
| Molweight | 395.195 |
| MonoisotopicMass | 395.013075 |
| CLogP | 2.8011 |
| CLogS | -4.374 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.76 |
| Relative PSA | 0.25139 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 3.0505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3-iodophenyl)acetamide | 2 - 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3-iodophenyl)acetamide