Molecule ID: mol22540
SMILES: O=C(O)/C(O)=C(\O)C(=O)O
InChI: InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.35 | AttenGpKa training set | 0 » -1 |
| 3.48 | AttenGpKa training set | -1 » -2 |