Molecule ID: mol1879
SMILES: Cc1ccc2cccc(O)c2n1
InChI: InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.51 | QSARToolbox | 1 » 0 |
| 5.55 | IUPAC digitized pKa | 1 » 0 |
| 5.55 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.61 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | AttenGpKa training set | 1 » 0 |
| 5.63 | Datawarrior | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.65 | QSARToolbox | 1 » 0 |
| 5.65 | QSARToolbox | 1 » 0 |
| 5.74 | QSARToolbox | 1 » 0 |
| 8.44 | QSARToolbox | 0 » -1 |
| 8.44 | QSARToolbox | 0 » -1 |
| 9.74 | QSARToolbox | 0 » -1 |
| 10.08 | Datawarrior | 0 » -1 |
| 10.08 | OCHEM | 0 » -1 |
| 10.15 | QSARToolbox | 0 » -1 |
| 10.15 | QSARToolbox | 0 » -1 |
| 10.16 | QSARToolbox | 0 » -1 |
| 10.16 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.31 | IUPAC digitized pKa | 0 » -1 |
| 10.31 | OCHEM | 0 » -1 |
| 10.31 | Hunt | 0 » -1 |
| 10.36 | AttenGpKa training set | 0 » -1 |