Molecule ID: mol9196
SMILES: O=C(O)CSCC(=O)O
InChI: InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.23 | AttenGpKa training set | 0 » -1 |
| 3.24 | IUPAC digitized pKa | 0 » -1 |
| 3.24 | QSARToolbox | 0 » -1 |
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | IUPAC digitized pKa | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.32 | OCHEM | 0 » -1 |
| 3.32 | OCHEM | 0 » -1 |
| 3.57 | OCHEM | 0 » -1 |
| 4.13 | IUPAC digitized pKa | -1 » -2 |
| 4.29 | QSARToolbox | -1 » -2 |
| 4.29 | QSARToolbox | -1 » -2 |
| 4.29 | IUPAC digitized pKa | -1 » -2 |
| 4.36 | AttenGpKa training set | -1 » -2 |
| 4.46 | QSARToolbox | -1 » -2 |
| 4.50 | QSARToolbox | -1 » -2 |
| 4.56 | QSARToolbox | -1 » -2 |
| 4.56 | IUPAC digitized pKa | -1 » -2 |