Molecule ID: mol30636
SMILES: CC1=C(O)C(=O)C(C(C)C)=C(O)C1=O
InChI: InChI=1S/C10H12O4/c1-4(2)6-9(13)7(11)5(3)8(12)10(6)14/h4,11,14H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.99 | AttenGpKa training set | 0 » -1 |
| 7.35 | AttenGpKa training set | -1 » -2 |