Molecule ID: mol6689
SMILES: Cc1nccn1-c1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C10H9N3O2/c1-8-11-6-7-12(8)9-4-2-3-5-10(9)13(14)15/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.17 | IUPAC digitized pKa | 1 » 0 |
| 6.17 | AttenGpKa training set | 1 » 0 |