Molecule ID: mol2465
SMILES: Oc1cccc2ccccc12
InChI: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.22 | QSARToolbox | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.18 | OCHEM | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |
| 9.30 | Hunt | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 9.34 | IUPAC digitized pKa | 0 » -1 |
| 9.34 | IUPAC digitized pKa | 0 » -1 |
| 9.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.39 | IUPAC digitized pKa | 0 » -1 |
| 9.39 | QSARToolbox | 0 » -1 |
| 9.40 | OCHEM | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | IUPAC digitized pKa | 0 » -1 |
| 9.44 | OCHEM | 0 » -1 |
| 9.44 | Datawarrior | 0 » -1 |
| 9.83 | QSARToolbox | 0 » -1 |