Molecule ID: mol11181
SMILES: Oc1cc2ccccc2cc1O
InChI: InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.81 | AttenGpKa training set | 0 » -1 |
| 12.50 | IUPAC digitized pKa | -1 » -2 |
| 12.60 | AttenGpKa training set | -1 » -2 |