Molecule ID: mol10157
SMILES: NNC(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H7N3O3/c8-9-7(11)5-1-3-6(4-2-5)10(12)13/h1-4H,8H2,(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.69 | IUPAC digitized pKa | 1 » 0 |
| 2.69 | AttenGpKa training set | 1 » 0 |
| 11.26 | IUPAC digitized pKa | 0 » -1 |
| 11.28 | AttenGpKa training set | 0 » -1 |