Molecule ID: mol10424
SMILES: COC(=O)c1ccc(O)c(O)c1
InChI: InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | AttenGpKa training set | 0 » -1 |
| 13.04 | IUPAC digitized pKa | -1 » -2 |
| 13.04 | AttenGpKa training set | -1 » -2 |