Molecule ID: mol1947
SMILES: Cc1cccc(S)c1
InChI: InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.58 | IUPAC digitized pKa | 0 » -1 |
| 6.58 | OCHEM | 0 » -1 |
| 6.58 | OCHEM | 0 » -1 |
| 6.60 | AttenGpKa training set | 0 » -1 |
| 6.66 | QSARToolbox | 0 » -1 |
| 6.66 | IUPAC digitized pKa | 0 » -1 |
| 6.66 | Hunt | 0 » -1 |
| 6.66 | OCHEM | 0 » -1 |