Molecule ID: mol14115
SMILES: O=C(O)C(=O)c1ccccc1
InChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.97 | QSARToolbox | 0 » -1 |
| 1.22 | Datawarrior | 0 » -1 |
| 1.22 | OCHEM | 0 » -1 |
| 1.22 | AttenGpKa training set | 0 » -1 |
| 1.32 | QSARToolbox | 0 » -1 |
| 1.32 | QSARToolbox | 0 » -1 |
| 1.39 | QSARToolbox | 0 » -1 |