Molecule ID: mol22624
SMILES: CC1(C)S[C@H](C(=O)O)[C@H](C(=O)O)S1
InChI: InChI=1S/C7H10O4S2/c1-7(2)12-3(5(8)9)4(13-7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | AttenGpKa training set | -1 » -2 |
| 4.80 | AttenGpKa training set | -1 » -2 |