Molecule ID: mol12550
SMILES: Cc1ccc(C(=O)C(=O)O)cc1
InChI: InChI=1S/C9H8O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.52 | Datawarrior | 0 » -1 |
| 1.52 | OCHEM | 0 » -1 |
| 1.52 | AttenGpKa training set | 0 » -1 |