Molecule ID: mol10062
SMILES: O=Cc1cc(Cl)ccc1O
InChI: InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Datawarrior | 0 » -1 |
| 7.40 | AttenGpKa training set | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.41 | IUPAC digitized pKa | 0 » -1 |