Molecule ID: mol10425
SMILES: COC(=O)c1cc(O)cc(O)c1
InChI: InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | IUPAC digitized pKa | 0 » -1 |
| 8.71 | AttenGpKa training set | 0 » -1 |
| 9.01 | OCHEM | 0 » -1 |
| 10.36 | OCHEM | -1 » -2 |
| 10.66 | IUPAC digitized pKa | -1 » -2 |
| 10.66 | AttenGpKa training set | -1 » -2 |