Molecule ID: mol4302
SMILES: Nc1nnnn1-c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H6N6O2/c8-7-9-10-11-12(7)5-2-1-3-6(4-5)13(14)15/h1-4H,(H2,8,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.47 | QSARToolbox | 1 » 0 |
| 0.47 | Datawarrior | 1 » 0 |
| 0.47 | OCHEM | 1 » 0 |
| 0.47 | AttenGpKa training set | 1 » 0 |