Molecule ID: mol12622
SMILES: O=[N+]([O-])c1ccc(/C=N/O)cc1
InChI: InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.97 | QSARToolbox | 0 » -1 |
| 10.03 | Datawarrior | 0 » -1 |
| 10.03 | AttenGpKa training set | 0 » -1 |
| 10.09 | QSARToolbox | 0 » -1 |
| 10.28 | QSARToolbox | 0 » -1 |