Molecule ID: mol724
SMILES: Oc1cc(Cl)c(Cl)c(Cl)c1
InChI: InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.58 | IUPAC digitized pKa | 0 » -1 |
| 7.62 | IUPAC digitized pKa | 0 » -1 |
| 7.67 | IUPAC digitized pKa | 0 » -1 |
| 7.68 | QSARToolbox | 0 » -1 |
| 7.68 | QSARToolbox | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | Datawarrior | 0 » -1 |
| 7.73 | IUPAC digitized pKa | 0 » -1 |
| 7.73 | OCHEM | 0 » -1 |
| 7.73 | AttenGpKa training set | 0 » -1 |
| 7.74 | QSARToolbox | 0 » -1 |
| 7.79 | IUPAC digitized pKa | 0 » -1 |
| 7.84 | IUPAC digitized pKa | 0 » -1 |
| 7.84 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | Hunt | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | QSARToolbox | 0 » -1 |
| 7.84 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.90 | IUPAC digitized pKa | 0 » -1 |
| 7.97 | IUPAC digitized pKa | 0 » -1 |
| 8.01 | QSARToolbox | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.10 | IUPAC digitized pKa | 0 » -1 |