Molecule ID: mol10430
SMILES: COc1c(C)cccc1O
InChI: InChI=1S/C8H10O2/c1-6-4-3-5-7(9)8(6)10-2/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.74 | QSARToolbox | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.74 | AttenGpKa training set | 0 » -1 |