Molecule ID: mol10630
SMILES: Cc1cc(Br)cc(C)c1O
InChI: InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.72 | AttenGpKa training set | 0 » -1 |
| 9.81 | IUPAC digitized pKa | 0 » -1 |
| 9.81 | OCHEM | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |