Molecule ID: mol4531
SMILES: Cn1cnc2cccc([N+](=O)[O-])c21
InChI: InChI=1S/C8H7N3O2/c1-10-5-9-6-3-2-4-7(8(6)10)11(12)13/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | IUPAC digitized pKa | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | AttenGpKa training set | 1 » 0 |