Molecule ID: mol28076
SMILES: COc1ccc(NC(=N)N[N+](=O)[O-])cc1
InChI: InChI=1S/C8H10N4O3/c1-15-7-4-2-6(3-5-7)10-8(9)11-12(13)14/h2-5H,1H3,(H3,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | AttenGpKa training set | 0 » -1 |