Molecule ID: mol33003
SMILES: O=C(O)C(Cl)C(Br)C(=O)O
InChI: InChI=1S/C4H4BrClO4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.46 | QSARToolbox | 0 » -1 |
| 1.76 | OCHEM | 0 » -1 |
| 1.76 | OCHEM | 0 » -1 |
| 2.77 | QSARToolbox | -1 » -2 |
| 2.95 | OCHEM | -1 » -2 |