Molecule ID: mol1466
SMILES: CCC(=O)SCCN(C)C
InChI: InChI=1S/C7H15NOS/c1-4-7(9)10-6-5-8(2)3/h4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |
| 8.28 | IUPAC digitized pKa | 1 » 0 |
| 8.28 | Datawarrior | 1 » 0 |
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | Hunt | 1 » 0 |