Molecule ID: mol12338
SMILES: O=C(O)C1CC1(Br)Br
InChI: InChI=1S/C4H4Br2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | OCHEM | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | Datawarrior | 0 » -1 |