Molecule ID: mol13716
SMILES: O=c1ccc2cc(O)c(O)cc2o1
InChI: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.62 | AttenGpKa training set | 0 » -1 |
| 7.63 | Datawarrior | 0 » -1 |
| 7.63 | OCHEM | 0 » -1 |
| 7.63 | QSARToolbox | 0 » -1 |