Molecule ID: mol22843
SMILES: COc1cc(C(=O)O)cc(C(=O)O)c1
InChI: InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | AttenGpKa training set | -1 » -2 |
| 4.67 | AttenGpKa training set | 0 » -1 |