Molecule ID: mol13036
SMILES: SCCNc1ccccc1
InChI: InChI=1S/C8H11NS/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | Datawarrior | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.50 | Datawarrior | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |