Molecule ID: mol1759
SMILES: O=C(O)C(Br)Br
InChI: InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.39 | OCHEM | 0 » -1 |
| 1.39 | OCHEM | 0 » -1 |
| 1.39 | Hunt | 0 » -1 |
| 1.39 | OCHEM | 0 » -1 |
| 1.48 | IUPAC digitized pKa | 0 » -1 |
| 1.48 | OCHEM | 0 » -1 |
| 1.48 | AttenGpKa training set | 0 » -1 |
| 1.48 | QSARToolbox | 0 » -1 |
| 1.48 | QSARToolbox | 0 » -1 |