Molecule ID: mol22684
SMILES: CCC(CBr)C(=O)O
InChI: InChI=1S/C5H9BrO2/c1-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | AttenGpKa training set | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |