Molecule ID: mol9790
SMILES: O=C(O)CCSCCC(=O)O
InChI: InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | IUPAC digitized pKa | -1 » -2 |
| 3.87 | AttenGpKa training set | 0 » -1 |
| 4.09 | IUPAC digitized pKa | -1 » -2 |
| 4.11 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.91 | QSARToolbox | 0 » -1 |
| 4.91 | IUPAC digitized pKa | 0 » -1 |
| 4.93 | AttenGpKa training set | 0 » -1 |
| 5.80 | QSARToolbox | 0 » -1 |