Molecule ID: mol33040
SMILES: O=C(O)CSCCCCCSCC(=O)O
InChI: InChI=1S/C9H16O4S2/c10-8(11)6-14-4-2-1-3-5-15-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | QSARToolbox | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |