Molecule ID: mol1464
SMILES: CCCC(=O)SCCN(C)C
InChI: InChI=1S/C8H17NOS/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.32 | QSARToolbox | 1 » 0 |
| 8.32 | OCHEM | 1 » 0 |
| 8.32 | IUPAC digitized pKa | 1 » 0 |
| 8.32 | Datawarrior | 1 » 0 |
| 8.32 | OCHEM | 1 » 0 |
| 8.32 | Hunt | 1 » 0 |