Molecule ID: mol15110
SMILES: Oc1ccc2c(c1)Cc1ccccc1-2
InChI: InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.51 | Datawarrior | 0 » -1 |
| 9.51 | OCHEM | 0 » -1 |
| 9.51 | QSARToolbox | 0 » -1 |
| 9.51 | QSARToolbox | 0 » -1 |
| 9.58 | AttenGpKa training set | 0 » -1 |