Molecule ID: mol10538
SMILES: Cc1ccc(C(=O)O)cc1Br
InChI: InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.29 | AttenGpKa training set | 0 » -1 |
| 3.96 | Datawarrior | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |