Molecule ID: mol15107
SMILES: Oc1cccc2c1-c1cccc(O)c1-2
InChI: InChI=1S/C12H8O2/c13-9-5-1-3-7-11(9)8-4-2-6-10(14)12(7)8/h1-6,13-14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.35 | Datawarrior | -1 » -2 |
| 8.35 | AttenGpKa training set | -1 » -2 |
| 8.35 | QSARToolbox | -1 » -2 |
| 8.35 | OCHEM | -1 » -2 |
| 9.97 | Datawarrior | -1 » -2 |
| 9.97 | AttenGpKa training set | -1 » -2 |