Molecule ID: mol10572
SMILES: Cc1cc(C(=O)O)ccc1[N+](=O)[O-]
InChI: InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | AttenGpKa training set | 0 » -1 |
| 3.65 | Datawarrior | 0 » -1 |
| 3.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |