Molecule ID: mol9642
SMILES: Oc1ccc(O)c(Cl)c1
InChI: InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | IUPAC digitized pKa | 0 » -1 |
| 8.81 | Datawarrior | 0 » -1 |
| 8.81 | OCHEM | 0 » -1 |
| 8.81 | QSARToolbox | 0 » -1 |
| 8.90 | AttenGpKa training set | 0 » -1 |
| 8.91 | IUPAC digitized pKa | 0 » -1 |
| 10.78 | QSARToolbox | -1 » -2 |
| 10.78 | IUPAC digitized pKa | -1 » -2 |
| 10.78 | Datawarrior | -1 » -2 |
| 10.80 | QSARToolbox | -1 » -2 |
| 10.86 | IUPAC digitized pKa | -1 » -2 |
| 11.00 | AttenGpKa training set | -1 » -2 |