Molecule ID: mol10570
SMILES: Cc1cccc([N+](=O)[O-])c1C(=O)O
InChI: InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 0 » -1 |
| 1.87 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.87 | OCHEM | 0 » -1 |
| 1.87 | OCHEM | 0 » -1 |
| 2.13 | Datawarrior | 0 » -1 |
| 2.13 | OCHEM | 0 » -1 |
| 2.21 | AttenGpKa training set | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 2.40 | OCHEM | 0 » -1 |
| 2.40 | QSARToolbox | 0 » -1 |
| 2.40 | QSARToolbox | 0 » -1 |