Molecule ID: mol1595
SMILES: Cc1cc([N+](=O)[O-])cnc1N
InChI: InChI=1S/C6H7N3O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | QSARToolbox | 1 » 0 |
| 3.58 | IUPAC digitized pKa | 1 » 0 |
| 3.58 | Hunt | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |