Molecule ID: mol10585
SMILES: COc1cc(C(=O)O)cc([N+](=O)[O-])c1O
InChI: InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.77 | AttenGpKa training set | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | IUPAC digitized pKa | 0 » -1 |
| 4.12 | OCHEM | 0 » -1 |
| 6.00 | IUPAC digitized pKa | -1 » -2 |
| 6.00 | QSARToolbox | -1 » -2 |