Molecule ID: mol8548
SMILES: NC(CCS)C(=O)O
InChI: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.22 | QSARToolbox | 1 » 0 |
| 8.70 | QSARToolbox | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | AttenGpKa training set | 0 » -1 |
| 10.46 | IUPAC digitized pKa | -1 » -2 |