Molecule ID: mol2255
SMILES: CSc1ccc(O)cc1
InChI: InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | IUPAC digitized pKa | 0 » -1 |
| 9.47 | QSARToolbox | 0 » -1 |
| 9.47 | QSARToolbox | 0 » -1 |
| 9.50 | Datawarrior | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | QSARToolbox | 0 » -1 |
| 9.53 | IUPAC digitized pKa | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | Hunt | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | OCHEM | 0 » -1 |
| 9.53 | AttenGpKa training set | 0 » -1 |