Molecule ID: mol10567
SMILES: CC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | IUPAC digitized pKa | 0 » -1 |
| 5.09 | Datawarrior | 0 » -1 |
| 5.09 | AttenGpKa training set | 0 » -1 |
| 5.09 | QSARToolbox | 0 » -1 |
| 5.09 | QSARToolbox | 0 » -1 |
| 5.09 | QSARToolbox | 0 » -1 |
| 5.09 | OCHEM | 0 » -1 |