Molecule ID: mol9963
SMILES: Cc1cccc(O)c1O
InChI: InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)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 |
| 9.35 | AttenGpKa training set | 0 » -1 |
| 9.51 | IUPAC digitized pKa | 0 » -1 |
| 9.51 | AttenGpKa training set | 0 » -1 |
| 10.90 | IUPAC digitized pKa | -1 » -2 |
| 12.90 | AttenGpKa training set | -1 » -2 |