Molecule ID: mol3630
SMILES: c1ccc(CSc2ccccn2)cc1
InChI: InChI=1S/C12H11NS/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | Datawarrior | 1 » 0 |
| 3.23 | OCHEM | 1 » 0 |
| 3.23 | OCHEM | 1 » 0 |
| 3.23 | AttenGpKa training set | 1 » 0 |