Molecule ID: mol28943
SMILES: O=P(O)(O)CCBr
InChI: InChI=1S/C2H6BrO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | QSARToolbox | 0 » -1 |
| 2.25 | AttenGpKa training set | 0 » -1 |
| 7.30 | AttenGpKa training set | -1 » -2 |
| 7.30 | QSARToolbox | -1 » -2 |