Molecule ID: mol33042
SMILES: O=C(O)CCCSCCCC(=O)O
InChI: InChI=1S/C8H14O4S/c9-7(10)3-1-5-13-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | QSARToolbox | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |