Molecule ID: mol1945
SMILES: Sc1cccc(Cl)c1
InChI: InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | QSARToolbox | 0 » -1 |
| 5.76 | Datawarrior | 0 » -1 |
| 5.76 | OCHEM | 0 » -1 |
| 5.78 | IUPAC digitized pKa | 0 » -1 |
| 5.78 | Hunt | 0 » -1 |
| 5.78 | OCHEM | 0 » -1 |
| 5.78 | AttenGpKa training set | 0 » -1 |
| 5.78 | QSARToolbox | 0 » -1 |
| 5.78 | QSARToolbox | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |