Molecule ID: mol1807
SMILES: O=C(O)c1c(Br)cc(Br)cc1Br
InChI: InChI=1S/C7H3Br3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.41 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.41 | OCHEM | 0 » -1 |
| 1.41 | Hunt | 0 » -1 |
| 1.41 | OCHEM | 0 » -1 |
| 2.41 | AttenGpKa training set | 0 » -1 |