Molecule ID: mol13347
SMILES: COc1cc2ccc(=O)oc2cc1O
InChI: InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Datawarrior | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 7.37 | AttenGpKa training set | 0 » -1 |