Molecule ID: mol10148
SMILES: COc1ccc(O)cc1Br
InChI: InChI=1S/C7H7BrO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.02 | IUPAC digitized pKa | 0 » -1 |
| 9.09 | Datawarrior | 0 » -1 |
| 9.09 | OCHEM | 0 » -1 |
| 9.16 | QSARToolbox | 0 » -1 |
| 9.16 | IUPAC digitized pKa | 0 » -1 |
| 9.16 | OCHEM | 0 » -1 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |