Molecule ID: mol5340
SMILES: CCSC[C@H](N)C(=O)O
InChI: InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | IUPAC digitized pKa | 1 » 0 |
| 2.03 | QSARToolbox | 1 » 0 |
| 2.03 | AttenGpKa training set | 1 » 0 |
| 8.60 | AttenGpKa training set | 0 » -1 |
| 8.69 | IUPAC digitized pKa | 0 » -1 |