Molecule ID: mol10583
SMILES: COC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | IUPAC digitized pKa | 0 » -1 |
| 5.40 | Datawarrior | 0 » -1 |
| 5.40 | OCHEM | 0 » -1 |
| 5.40 | AttenGpKa training set | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |
| 5.40 | OCHEM | 0 » -1 |