Molecule ID: mol10134
SMILES: Cc1ccc(O)c(Cl)c1
InChI: InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.74 | QSARToolbox | 0 » -1 |
| 8.74 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.74 | OCHEM | 0 » -1 |
| 8.74 | OCHEM | 0 » -1 |
| 8.74 | OCHEM | 0 » -1 |
| 8.78 | AttenGpKa training set | 0 » -1 |