Molecule ID: mol12947
SMILES: COc1cccc(O)c1O
InChI: InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.28 | OCHEM | 0 » -1 |
| 9.28 | QSARToolbox | 0 » -1 |
| 9.28 | QSARToolbox | 0 » -1 |
| 9.28 | Datawarrior | 0 » -1 |
| 9.32 | AttenGpKa training set | 0 » -1 |
| 13.60 | AttenGpKa training set | -1 » -2 |