Molecule ID: mol10530
SMILES: Cc1ccc(Cl)cc1C(=O)O
InChI: InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | Datawarrior | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | AttenGpKa training set | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |