Molecule ID: mol12482
SMILES: CCN(CC)CCS
InChI: InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.25 | QSARToolbox | 1 » 0 |
| 7.69 | QSARToolbox | 1 » 0 |
| 7.72 | OCHEM | 1 » 0 |
| 7.72 | Datawarrior | 1 » 0 |
| 7.80 | AttenGpKa training set | 1 » 0 |
| 10.75 | AttenGpKa training set | 0 » -1 |
| 11.01 | Datawarrior | 0 » -1 |
| 11.01 | OCHEM | 0 » -1 |