Molecule ID: mol13119
SMILES: CCCN(CCC)CCS
InChI: InChI=1S/C8H19NS/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.37 | QSARToolbox | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 8.00 | AttenGpKa training set | 1 » 0 |
| 8.62 | OCHEM | 1 » 0 |
| 8.62 | Datawarrior | 1 » 0 |
| 10.80 | AttenGpKa training set | 0 » -1 |