Molecule ID: mol13545
SMILES: Sc1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.48 | Datawarrior | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |
| 5.48 | AttenGpKa training set | 0 » -1 |
| 5.48 | QSARToolbox | 0 » -1 |
| 5.48 | QSARToolbox | 0 » -1 |