Molecule ID: mol1596
SMILES: Cc1cnc(N)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H7N3O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | Hunt | 1 » 0 |
| 2.98 | OCHEM | 1 » 0 |
| 2.98 | QSARToolbox | 1 » 0 |