Molecule ID: mol25270
SMILES: O=[N+]([O-])c1cc[nH]n1
InChI: InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.66 | AttenGpKa training set | 1 » 0 |
| -4.66 | AttenGpKa training set | 1 » 0 |
| 9.81 | AttenGpKa training set | 0 » -1 |
| 9.81 | AttenGpKa training set | 0 » -1 |