Molecule ID: mol1865
SMILES: CSc1cccc(O)c1
InChI: InChI=1S/C7H8OS/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.42 | IUPAC digitized pKa | 0 » -1 |
| 9.42 | AttenGpKa training set | 0 » -1 |
| 9.42 | QSARToolbox | 0 » -1 |
| 9.42 | QSARToolbox | 0 » -1 |
| 9.47 | Datawarrior | 0 » -1 |
| 9.47 | OCHEM | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | Hunt | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |