Molecule ID: mol9033
SMILES: O=C(O)CCBr
InChI: InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | Datawarrior | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 3.99 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.01 | IUPAC digitized pKa | 0 » -1 |
| 4.03 | AttenGpKa training set | 0 » -1 |
| 4.07 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |