Molecule ID: mol467
SMILES: Sc1ccc(Cl)cc1
InChI: InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.49 | QSARToolbox | 0 » -1 |
| 5.49 | QSARToolbox | 0 » -1 |
| 5.70 | IUPAC digitized pKa | 0 » -1 |
| 5.82 | Datawarrior | 0 » -1 |
| 5.82 | OCHEM | 0 » -1 |
| 5.90 | OCHEM | 0 » -1 |
| 5.90 | OCHEM | 0 » -1 |
| 5.90 | OCHEM | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |
| 6.14 | IUPAC digitized pKa | 0 » -1 |
| 6.14 | AttenGpKa training set | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | Hunt | 0 » -1 |