Molecule ID: mol9622
SMILES: Oc1cc(Cl)c(O)c(Cl)c1
InChI: InChI=1S/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | IUPAC digitized pKa | 0 » -1 |
| 7.32 | AttenGpKa training set | 0 » -1 |
| 7.34 | IUPAC digitized pKa | 0 » -1 |
| 7.34 | OCHEM | 0 » -1 |
| 7.38 | IUPAC digitized pKa | 0 » -1 |
| 7.38 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.99 | IUPAC digitized pKa | -1 » -2 |
| 9.99 | AttenGpKa training set | -1 » -2 |
| 10.00 | OCHEM | -1 » -2 |
| 10.06 | IUPAC digitized pKa | -1 » -2 |
| 10.16 | IUPAC digitized pKa | -1 » -2 |