Molecule ID: mol12931
SMILES: Cc1cc(Br)cc(Br)c1O
InChI: InChI=1S/C7H6Br2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | 0 » -1 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | Datawarrior | 0 » -1 |
| 7.60 | AttenGpKa training set | 0 » -1 |