Molecule ID: mol13969
SMILES: Oc1cccc2c1-c1ccccc1-2
InChI: InChI=1S/C12H8O/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.64 | Datawarrior | 0 » -1 |
| 8.64 | AttenGpKa training set | 0 » -1 |
| 8.64 | OCHEM | 0 » -1 |
| 8.64 | QSARToolbox | 0 » -1 |
| 8.64 | QSARToolbox | 0 » -1 |