Molecule ID: mol802
SMILES: Oc1ccc(Cc2ccc(O)cc2)cc1
InChI: InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | OCHEM | 0 » -1 |
| 7.55 | Hunt | 0 » -1 |
| 7.55 | IUPAC digitized pKa | -1 » -2 |
| 7.55 | QSARToolbox | 0 » -1 |
| 10.80 | IUPAC digitized pKa | 0 » -1 |