Molecule ID: mol10147
SMILES: COc1ccc(O)c(Br)c1
InChI: InChI=1S/C7H7BrO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | Datawarrior | 0 » -1 |
| 8.69 | QSARToolbox | 0 » -1 |
| 8.69 | QSARToolbox | 0 » -1 |
| 8.69 | IUPAC digitized pKa | 0 » -1 |
| 8.69 | OCHEM | 0 » -1 |
| 8.81 | IUPAC digitized pKa | 0 » -1 |