Molecule ID: mol14127
SMILES: COc1cc(CO)ccc1O
InChI: InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.79 | Datawarrior | 0 » -1 |
| 9.79 | OCHEM | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |
| 10.08 | QSARToolbox | 0 » -1 |
| 10.40 | QSARToolbox | 0 » -1 |
| 10.45 | QSARToolbox | 0 » -1 |