Molecule ID: mol22576
SMILES: O=C(O)[C@@H](S)[C@H](S)C(=O)O
InChI: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | AttenGpKa training set | 0 » -1 |
| 4.50 | AttenGpKa training set | -1 » -2 |