Molecule ID: mol9032
SMILES: CC(Br)C(=O)O
InChI: InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | Datawarrior | 0 » -1 |
| 2.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.99 | AttenGpKa training set | 0 » -1 |
| 3.01 | IUPAC digitized pKa | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |