Molecule ID: mol23308
SMILES: O=C(O)Cc1cc(O)ccc1O
InChI: InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.14 | QSARToolbox | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |