| MolName | 4-amino-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide |
| MolecularFormula | C10H8N5O2I |
| Smiles | Nc1nonc1C(N/N=C\c1cccc(I)c1)=O |
| InChI | InChI=1S/C10H8IN5O2/c11-7-3-1-2-6(4-7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17) |
| InChIK | OAVUOGVMGRACCQ-UHFFFAOYSA-N |
| TotalMolweight | 357.107 |
| Molweight | 357.107 |
| MonoisotopicMass | 356.972273 |
| CLogP | 1.8781 |
| CLogS | -3.605 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 209 |
| Relative PSA | 0.41785 |
| PolarSurfaceArea | 106.4 |
| Druglikeness | 6.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide