Molecule ID: mol12926
SMILES: O=Cc1cc(Br)ccc1O
InChI: InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Datawarrior | 0 » -1 |
| 7.40 | AttenGpKa training set | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |