Molecule ID: mol14203
SMILES: SCCNCc1ccccc1
InChI: InChI=1S/C9H13NS/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | Datawarrior | 1 » 0 |
| 7.86 | OCHEM | 1 » 0 |
| 7.86 | QSARToolbox | 1 » 0 |
| 10.28 | Datawarrior | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |