Molecule ID: mol5339
SMILES: N[C@@H](CS(=O)(=O)O)C(=O)O
InChI: InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | IUPAC digitized pKa | 1 » 0 |
| 1.89 | IUPAC digitized pKa | 0 » -1 |
| 8.41 | QSARToolbox | -1 » -2 |
| 8.70 | IUPAC digitized pKa | -1 » -2 |