Molecule ID: mol11211
SMILES: O=C(O)COc1ccccc1OCC(=O)O
InChI: InChI=1S/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | -1 » -2 |
| 2.70 | AttenGpKa training set | 0 » -1 |
| 3.36 | AttenGpKa training set | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |