Molecule ID: mol10560
SMILES: O=C(O)C(O)c1ccc(Br)cc1
InChI: InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | QSARToolbox | 0 » -1 |
| 2.87 | IUPAC digitized pKa | 0 » -1 |
| 3.06 | IUPAC digitized pKa | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |