Molecule ID: mol4528
SMILES: Cn1cnc2c([N+](=O)[O-])cccc21
InChI: InChI=1S/C8H7N3O2/c1-10-5-9-8-6(10)3-2-4-7(8)11(12)13/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | IUPAC digitized pKa | 1 » 0 |
| 3.86 | OCHEM | 1 » 0 |
| 3.86 | OCHEM | 1 » 0 |
| 3.86 | AttenGpKa training set | 1 » 0 |