Molecule ID: mol2171
SMILES: CC(=O)SCCN(C)C
InChI: InChI=1S/C6H13NOS/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.27 | IUPAC digitized pKa | 1 » 0 |
| 8.27 | Datawarrior | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |
| 8.27 | Hunt | 1 » 0 |
| 8.27 | AttenGpKa training set | 1 » 0 |
| 8.27 | QSARToolbox | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |