Molecule ID: mol10420
SMILES: COC(=O)c1cccc(O)c1O
InChI: InChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.10 | AttenGpKa training set | 0 » -1 |
| 12.94 | IUPAC digitized pKa | -1 » -2 |
| 12.94 | OCHEM | -1 » -2 |
| 12.94 | AttenGpKa training set | -1 » -2 |