Molecule ID: mol2328
SMILES: Oc1cc(Cl)cc(Cl)c1
InChI: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | IUPAC digitized pKa | 0 » -1 |
| 7.97 | IUPAC digitized pKa | 0 » -1 |
| 8.01 | IUPAC digitized pKa | 0 » -1 |
| 8.03 | QSARToolbox | 0 » -1 |
| 8.06 | IUPAC digitized pKa | 0 » -1 |
| 8.07 | OCHEM | 0 » -1 |
| 8.07 | Datawarrior | 0 » -1 |
| 8.12 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | Hunt | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | AttenGpKa training set | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.19 | IUPAC digitized pKa | 0 » -1 |
| 8.24 | IUPAC digitized pKa | 0 » -1 |
| 8.26 | OCHEM | 0 » -1 |
| 8.31 | IUPAC digitized pKa | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 8.91 | QSARToolbox | 0 » -1 |
| 9.69 | QSARToolbox | 0 » -1 |
| 9.69 | QSARToolbox | 0 » -1 |
| 11.32 | QSARToolbox | 0 » -1 |
| 12.35 | QSARToolbox | 0 » -1 |