Molecule ID: mol13853
SMILES: Cc1ccc(C(=O)C(=O)O)cc1C
InChI: InChI=1S/C10H10O3/c1-6-3-4-8(5-7(6)2)9(11)10(12)13/h3-5H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.36 | Datawarrior | 0 » -1 |
| 1.36 | OCHEM | 0 » -1 |
| 1.36 | OCHEM | 0 » -1 |
| 1.36 | AttenGpKa training set | 0 » -1 |
| 1.36 | QSARToolbox | 0 » -1 |
| 1.36 | QSARToolbox | 0 » -1 |