Molecule ID: mol15108
SMILES: Oc1cccc2c1-c1c(O)cccc1-2
InChI: InChI=1S/C12H8O2/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)11(7)9/h1-6,13-14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | AttenGpKa training set | -1 » -2 |
| 8.01 | QSARToolbox | -1 » -2 |
| 8.16 | OCHEM | -1 » -2 |
| 8.16 | Datawarrior | -1 » -2 |
| 8.31 | QSARToolbox | -1 » -2 |
| 8.31 | QSARToolbox | -1 » -2 |
| 11.00 | Datawarrior | -1 » -2 |
| 11.00 | AttenGpKa training set | -1 » -2 |