Molecule ID: mol9540
SMILES: Oc1ccc(O)c(O)c1
InChI: InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.08 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.15 | AttenGpKa training set | 0 » -1 |
| 11.17 | AttenGpKa training set | -1 » -2 |
| 11.80 | OCHEM | -2 » -3 |
| 11.82 | IUPAC digitized pKa | -2 » -3 |
| 12.90 | AttenGpKa training set | -2 » -3 |