Molecule ID: mol10067
SMILES: O=c1ccc(Br)ccc1O
InChI: InChI=1S/C7H5BrO2/c8-5-1-3-6(9)7(10)4-2-5/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.54 | IUPAC digitized pKa | 0 » -1 |
| 6.32 | IUPAC digitized pKa | 0 » -1 |
| 6.32 | Datawarrior | 0 » -1 |
| 6.32 | OCHEM | 0 » -1 |
| 6.32 | AttenGpKa training set | 0 » -1 |
| 6.32 | QSARToolbox | 0 » -1 |
| 6.32 | QSARToolbox | 0 » -1 |
| 6.32 | OCHEM | 0 » -1 |