Molecule ID: mol21735
SMILES: COc1ccc(C(=O)O)cc1[N+](=O)[O-]
InChI: InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.72 | AttenGpKa training set | 0 » -1 |