Molecule ID: mol14201
SMILES: CCSC(=N)c1ccccc1
InChI: InChI=1S/C9H11NS/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.04 | AttenGpKa training set | 1 » 0 |
| 6.05 | Datawarrior | 1 » 0 |
| 6.05 | OCHEM | 1 » 0 |
| 7.95 | QSARToolbox | 1 » 0 |