Molecule ID: mol29341
SMILES: O=C(O)C1CSC(C(=O)O)N1
InChI: InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.32 | AttenGpKa training set | 0 » -1 |
| 5.87 | AttenGpKa training set | -1 » -2 |