| MolName | 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine |
| MolecularFormula | C9H8N5OF |
| Smiles | Nc1nonc1N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C9H8FN5O/c10-7-4-2-1-3-6(7)5-12-13-9-8(11)14-16-15-9/h1-5H,(H2,11,14)(H,13,15) |
| InChIK | GSVHCCULAOCJTQ-UHFFFAOYSA-N |
| TotalMolweight | 221.195 |
| Molweight | 221.195 |
| MonoisotopicMass | 221.071288 |
| CLogP | 3.4785 |
| CLogS | -2.832 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 171.32 |
| Relative PSA | 0.43363 |
| PolarSurfaceArea | 89.33 |
| Druglikeness | 1.8647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine | 2 - 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine