Molecule ID: mol28075
SMILES: COc1cccc(NC(=N)N[N+](=O)[O-])c1
InChI: InChI=1S/C8H10N4O3/c1-15-7-4-2-3-6(5-7)10-8(9)11-12(13)14/h2-5H,1H3,(H3,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | AttenGpKa training set | 0 » -1 |
| 9.80 | QSARToolbox | 0 » -1 |