Molecule ID: mol23273
SMILES: O=C(O)Cc1ccc(O)cc1
InChI: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.33 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 10.15 | AttenGpKa training set | -1 » -2 |