Molecule ID: mol722
SMILES: Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.65 | AttenGpKa training set | 0 » -1 |
| 4.69 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.74 | OCHEM | 0 » -1 |
| 4.74 | OCHEM | 0 » -1 |
| 4.74 | Hunt | 0 » -1 |
| 4.75 | OCHEM | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |
| 5.25 | QSARToolbox | 0 » -1 |
| 5.25 | QSARToolbox | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |
| 5.75 | QSARToolbox | 0 » -1 |
| 5.75 | QSARToolbox | 0 » -1 |
| 6.93 | QSARToolbox | 0 » -1 |
| 6.93 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |