Molecule ID: mol1791
SMILES: O=C(O)c1c(O)cccc1[N+](=O)[O-]
InChI: InChI=1S/C7H5NO5/c9-5-3-1-2-4(8(12)13)6(5)7(10)11/h1-3,9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.24 | IUPAC digitized pKa | 0 » -1 |
| 2.24 | Datawarrior | 0 » -1 |
| 2.24 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.24 | OCHEM | 0 » -1 |
| 2.24 | Hunt | 0 » -1 |
| 2.24 | OCHEM | 0 » -1 |
| 2.24 | AttenGpKa training set | 0 » -1 |
| 2.24 | QSARToolbox | 0 » -1 |
| 2.24 | QSARToolbox | 0 » -1 |
| 2.24 | QSARToolbox | 0 » -1 |
| 2.24 | QSARToolbox | 0 » -1 |