Molecule ID: mol9511
SMILES: CC(C)(S)C(N)C(=O)O
InChI: InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 1 » 0 |
| 1.80 | AttenGpKa training set | 1 » 0 |
| 2.00 | QSARToolbox | 1 » 0 |
| 2.00 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.90 | AttenGpKa training set | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | QSARToolbox | -1 » -2 |
| 10.50 | QSARToolbox | -1 » -2 |
| 10.50 | QSARToolbox | -1 » -2 |
| 10.50 | AttenGpKa training set | -1 » -2 |
| 10.68 | IUPAC digitized pKa | -1 » -2 |