Molecule ID: mol5342
SMILES: COC(=O)[C@@H](N)CS
InChI: InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | IUPAC digitized pKa | 1 » 0 |
| 6.50 | QSARToolbox | 1 » 0 |
| 6.56 | QSARToolbox | 1 » 0 |
| 6.56 | IUPAC digitized pKa | 1 » 0 |
| 6.65 | IUPAC digitized pKa | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |
| 8.99 | QSARToolbox | 0 » -1 |
| 8.99 | IUPAC digitized pKa | 0 » -1 |
| 9.04 | IUPAC digitized pKa | 0 » -1 |
| 9.09 | QSARToolbox | 0 » -1 |