Molecule ID: mol10251
SMILES: O=C(O)CSCCCSCC(=O)O
InChI: InChI=1S/C7H12O4S2/c8-6(9)4-12-2-1-3-13-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | IUPAC digitized pKa | -1 » -2 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.74 | OCHEM | 0 » -1 |
| 4.25 | IUPAC digitized pKa | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |