Molecule ID: mol4338
SMILES: CSc1cc2ccccc2cn1
InChI: InChI=1S/C10H9NS/c1-12-10-6-8-4-2-3-5-9(8)7-11-10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | QSARToolbox | 1 » 0 |
| 3.37 | IUPAC digitized pKa | 1 » 0 |
| 3.37 | OCHEM | 1 » 0 |
| 3.41 | Datawarrior | 1 » 0 |
| 3.41 | AttenGpKa training set | 1 » 0 |
| 3.41 | QSARToolbox | 1 » 0 |
| 3.41 | OCHEM | 1 » 0 |