Molecule ID: mol2574
SMILES: Cc1cc(Br)ccc1C(=O)O
InChI: InChI=1S/C8H7BrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | Datawarrior | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |
| 3.77 | Hunt | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |