Molecule ID: mol1806
SMILES: O=C(O)C(Br)(Br)Br
InChI: InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.15 | OCHEM | 0 » -1 |
| -0.15 | OCHEM | 0 » -1 |
| -0.15 | OCHEM | 0 » -1 |
| -0.15 | Hunt | 0 » -1 |
| 0.69 | AttenGpKa training set | 0 » -1 |
| 0.72 | IUPAC digitized pKa | 0 » -1 |
| 0.72 | QSARToolbox | 0 » -1 |