Molecule ID: mol12522
SMILES: O=C(O)CCCCC1CCSS1
InChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.82 | Datawarrior | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |