Molecule ID: mol13037
SMILES: CSC(=N)c1ccccc1
InChI: InChI=1S/C8H9NS/c1-10-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.83 | QSARToolbox | 1 » 0 |
| 5.83 | OCHEM | 1 » 0 |
| 5.84 | Datawarrior | 1 » 0 |
| 5.84 | AttenGpKa training set | 1 » 0 |
| 5.84 | OCHEM | 1 » 0 |
| 8.15 | QSARToolbox | 1 » 0 |