Molecule ID: mol2327
SMILES: Oc1c(Cl)cccc1Cl
InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.77 | AttenGpKa training set | 0 » -1 |
| 6.78 | OCHEM | 0 » -1 |
| 6.78 | OCHEM | 0 » -1 |
| 6.78 | OCHEM | 0 » -1 |
| 6.79 | IUPAC digitized pKa | 0 » -1 |
| 6.79 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | Hunt | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | OCHEM | 0 » -1 |
| 6.79 | IUPAC digitized pKa | 0 » -1 |
| 6.80 | Datawarrior | 0 » -1 |
| 6.80 | QSARToolbox | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.81 | IUPAC digitized pKa | 0 » -1 |
| 7.15 | Baltruschat ChEMBL | 0 » -1 |