Molecule ID: mol26078
SMILES: Nc1ncnc2ccc([N+](=O)[O-])cc12
InChI: InChI=1S/C8H6N4O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4H,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.28 | AttenGpKa training set | 1 » 0 |
| 5.55 | AttenGpKa training set | 1 » 0 |