Molecule ID: mol12640
SMILES: SCCNCCc1ccccc1
InChI: InChI=1S/C10H15NS/c12-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.89 | QSARToolbox | 1 » 0 |
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | QSARToolbox | 1 » 0 |
| 7.85 | Datawarrior | 1 » 0 |
| 8.11 | Datawarrior | 1 » 0 |
| 10.28 | Datawarrior | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |