Molecule ID: mol726
SMILES: Oc1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.33 | IUPAC digitized pKa | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.39 | QSARToolbox | 0 » -1 |
| 8.44 | IUPAC digitized pKa | 0 » -1 |
| 8.50 | IUPAC digitized pKa | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.58 | OCHEM | 0 » -1 |
| 8.58 | QSARToolbox | 0 » -1 |
| 8.58 | Datawarrior | 0 » -1 |
| 8.59 | IUPAC digitized pKa | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.60 | AttenGpKa training set | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.63 | IUPAC digitized pKa | 0 » -1 |
| 8.63 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | Hunt | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.63 | QSARToolbox | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.77 | IUPAC digitized pKa | 0 » -1 |
| 8.78 | QSARToolbox | 0 » -1 |
| 8.78 | QSARToolbox | 0 » -1 |
| 8.85 | IUPAC digitized pKa | 0 » -1 |
| 8.93 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | QSARToolbox | 0 » -1 |
| 10.08 | QSARToolbox | 0 » -1 |