Molecule ID: mol9197
SMILES: O=C(O)CSSCC(=O)O
InChI: InChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.88 | AttenGpKa training set | 0 » -1 |
| 2.88 | IUPAC digitized pKa | -1 » -2 |
| 2.88 | QSARToolbox | 0 » -1 |
| 2.88 | QSARToolbox | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.15 | IUPAC digitized pKa | -1 » -2 |
| 3.15 | IUPAC digitized pKa | -1 » -2 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.19 | QSARToolbox | 0 » -1 |
| 3.19 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | IUPAC digitized pKa | 0 » -1 |
| 3.81 | AttenGpKa training set | 0 » -1 |
| 4.13 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | IUPAC digitized pKa | 0 » -1 |