Molecule ID: mol9607
SMILES: Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChI: InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.46 | AttenGpKa training set | 0 » -1 |
| 5.80 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | IUPAC digitized pKa | -1 » -2 |