Molecule ID: mol22386
SMILES: O=C(O)CSC1CCCCC1
InChI: InChI=1S/C8H14O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | AttenGpKa training set | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |