Molecule ID: mol1385
SMILES: Oc1ccc2ccccc2c1
InChI: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | QSARToolbox | 0 » -1 |
| 9.10 | QSARToolbox | 0 » -1 |
| 9.40 | Baltruschat ChEMBL | 0 » -1 |
| 9.47 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.51 | IUPAC digitized pKa | 0 » -1 |
| 9.51 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.51 | QSARToolbox | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.57 | QSARToolbox | 0 » -1 |
| 9.57 | QSARToolbox | 0 » -1 |
| 9.57 | QSARToolbox | 0 » -1 |
| 9.57 | IUPAC digitized pKa | 0 » -1 |
| 9.57 | OCHEM | 0 » -1 |
| 9.57 | Hunt | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |
| 9.60 | Datawarrior | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |
| 9.63 | QSARToolbox | 0 » -1 |
| 9.63 | QSARToolbox | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.77 | OCHEM | 0 » -1 |
| 9.91 | QSARToolbox | 0 » -1 |
| 9.91 | QSARToolbox | 0 » -1 |
| 9.97 | IUPAC digitized pKa | 0 » -1 |
| 9.97 | QSARToolbox | 0 » -1 |
| 10.06 | IUPAC digitized pKa | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |