Molecule ID: mol22282
SMILES: O=C(O)/C=C/C=C/C(=O)O
InChI: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | AttenGpKa training set | 0 » -1 |
| 4.66 | AttenGpKa training set | 0 » -1 |