Molecule ID: mol9045
SMILES: CC(S)C(=O)O
InChI: InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | QSARToolbox | 0 » -1 |
| 3.24 | QSARToolbox | 0 » -1 |
| 3.35 | OCHEM | 0 » -1 |
| 3.35 | Datawarrior | 0 » -1 |
| 3.39 | QSARToolbox | 0 » -1 |
| 3.57 | AttenGpKa training set | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 9.62 | QSARToolbox | -1 » -2 |
| 9.62 | QSARToolbox | -1 » -2 |
| 10.00 | IUPAC digitized pKa | -1 » -2 |
| 10.07 | Datawarrior | -1 » -2 |
| 10.11 | IUPAC digitized pKa | -1 » -2 |
| 10.18 | IUPAC digitized pKa | -1 » -2 |
| 10.19 | IUPAC digitized pKa | -1 » -2 |
| 10.20 | OCHEM | -1 » -2 |
| 10.24 | IUPAC digitized pKa | -1 » -2 |
| 10.26 | IUPAC digitized pKa | -1 » -2 |
| 10.45 | AttenGpKa training set | -1 » -2 |