Molecule ID: mol4457
SMILES: CSc1cnc2ccccc2c1
InChI: InChI=1S/C10H9NS/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | IUPAC digitized pKa | 1 » 0 |
| 3.88 | Datawarrior | 1 » 0 |
| 3.88 | AttenGpKa training set | 1 » 0 |
| 3.88 | OCHEM | 1 » 0 |
| 3.88 | QSARToolbox | 1 » 0 |