Molecule ID: mol13120
SMILES: CC(C)N(CCS)C(C)C
InChI: InChI=1S/C8H19NS/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | QSARToolbox | 1 » 0 |
| 6.27 | QSARToolbox | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | Datawarrior | 1 » 0 |