Molecule ID: mol10421
SMILES: COC(=O)c1ccc(O)cc1O
InChI: InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | IUPAC digitized pKa | 0 » -1 |
| 8.02 | OCHEM | 0 » -1 |
| 8.02 | AttenGpKa training set | 0 » -1 |
| 11.73 | IUPAC digitized pKa | -1 » -2 |
| 11.73 | OCHEM | -1 » -2 |
| 11.73 | AttenGpKa training set | -1 » -2 |