Molecule ID: mol10065
SMILES: O=c1ccccc(Br)c1O
InChI: InChI=1S/C7H5BrO2/c8-5-3-1-2-4-6(9)7(5)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.14 | IUPAC digitized pKa | 0 » -1 |
| 5.96 | IUPAC digitized pKa | 0 » -1 |
| 5.96 | Datawarrior | 0 » -1 |
| 5.96 | OCHEM | 0 » -1 |
| 5.96 | AttenGpKa training set | 0 » -1 |
| 5.96 | QSARToolbox | 0 » -1 |
| 6.95 | QSARToolbox | 0 » -1 |