Molecule ID: mol3631
SMILES: c1ccc(CSc2ccncc2)cc1
InChI: InChI=1S/C12H11NS/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-9H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.41 | OCHEM | 1 » 0 |
| 5.41 | Datawarrior | 1 » 0 |
| 5.41 | OCHEM | 1 » 0 |
| 5.41 | AttenGpKa training set | 1 » 0 |