Molecule ID: mol10849
SMILES: Cc1cccc(=O)c(O)c1C(=O)O
InChI: InChI=1S/C9H8O4/c1-5-3-2-4-6(10)8(11)7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.48 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 7.45 | IUPAC digitized pKa | -1 » -2 |
| 8.24 | AttenGpKa training set | -1 » -2 |
| 8.29 | IUPAC digitized pKa | -1 » -2 |