Molecule ID: mol1392
SMILES: Oc1cccc2ncccc12
InChI: InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.02 | OCHEM | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.02 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.18 | QSARToolbox | 1 » 0 |
| 5.18 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | Datawarrior | 1 » 0 |
| 5.20 | AttenGpKa training set | 1 » 0 |
| 8.54 | QSARToolbox | 0 » -1 |
| 8.54 | QSARToolbox | 0 » -1 |
| 8.54 | Datawarrior | 0 » -1 |
| 8.54 | OCHEM | 0 » -1 |
| 8.54 | AttenGpKa training set | 0 » -1 |
| 8.56 | IUPAC digitized pKa | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | Hunt | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | QSARToolbox | 0 » -1 |