Molecule ID: mol10416
SMILES: COc1ccc(C(=O)O)cc1O
InChI: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | QSARToolbox | 0 » -1 |
| 4.37 | AttenGpKa training set | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |
| 4.47 | IUPAC digitized pKa | 0 » -1 |
| 4.47 | OCHEM | 0 » -1 |
| 9.58 | AttenGpKa training set | -1 » -2 |
| 10.00 | OCHEM | -1 » -2 |
| 10.10 | IUPAC digitized pKa | -1 » -2 |