Molecule ID: mol5341
SMILES: CSC[C@H](N)C(=O)O
InChI: InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.55 | QSARToolbox | 1 » 0 |
| 8.73 | IUPAC digitized pKa | 0 » -1 |
| 8.75 | IUPAC digitized pKa | 0 » -1 |
| 8.75 | QSARToolbox | 0 » -1 |
| 8.97 | IUPAC digitized pKa | 0 » -1 |
| 8.97 | AttenGpKa training set | 0 » -1 |