Molecule ID: mol9418
SMILES: O=C(O)CSCSCC(=O)O
InChI: InChI=1S/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.27 | QSARToolbox | 0 » -1 |
| 3.27 | IUPAC digitized pKa | -1 » -2 |
| 3.30 | IUPAC digitized pKa | -1 » -2 |
| 3.31 | OCHEM | 0 » -1 |
| 3.31 | QSARToolbox | 0 » -1 |
| 3.31 | AttenGpKa training set | 0 » -1 |
| 3.37 | IUPAC digitized pKa | -1 » -2 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 4.19 | IUPAC digitized pKa | 0 » -1 |
| 4.34 | AttenGpKa training set | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |