Molecule ID: mol14055
SMILES: CN(C)CCSCCN(C)C
InChI: InChI=1S/C8H20N2S/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Datawarrior | 2 » 1 |
| 8.00 | QSARToolbox | 2 » 1 |
| 8.00 | QSARToolbox | 2 » 1 |
| 8.30 | OCHEM | 2 » 1 |
| 8.55 | OCHEM | 2 » 1 |
| 8.90 | OCHEM | 1 » 0 |
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |