Molecule ID: mol10156
SMILES: NNC(=O)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.73 | IUPAC digitized pKa | 1 » 0 |
| 2.73 | AttenGpKa training set | 1 » 0 |
| 11.36 | IUPAC digitized pKa | 0 » -1 |
| 11.36 | AttenGpKa training set | 0 » -1 |