Molecule ID: mol9976
SMILES: O=C(O)C1=CCC(C(=O)O)C1
InChI: InChI=1S/C7H8O4/c8-6(9)4-1-2-5(3-4)7(10)11/h1,5H,2-3H2,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | IUPAC digitized pKa | 0 » -1 |
| 4.27 | AttenGpKa training set | -1 » -2 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 5.10 | AttenGpKa training set | -1 » -2 |