Molecule ID: mol2469
SMILES: Oc1ccc(O)c2ccccc12
InChI: InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.93 | QSARToolbox | 0 » -1 |
| 9.25 | Datawarrior | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.34 | AttenGpKa training set | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.47 | IUPAC digitized pKa | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |
| 9.58 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.58 | OCHEM | 0 » -1 |
| 9.58 | Hunt | 0 » -1 |
| 9.77 | OCHEM | 0 » -1 |
| 10.93 | IUPAC digitized pKa | -1 » -2 |
| 11.02 | IUPAC digitized pKa | -1 » -2 |
| 11.02 | Datawarrior | -1 » -2 |
| 11.02 | OCHEM | -1 » -2 |
| 11.07 | AttenGpKa training set | -1 » -2 |
| 11.11 | IUPAC digitized pKa | -1 » -2 |