Molecule ID: mol2150
SMILES: Oc1cccc2cnccc12
InChI: InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.38 | IUPAC digitized pKa | 1 » 0 |
| 5.38 | OCHEM | 1 » 0 |
| 5.38 | QSARToolbox | 1 » 0 |
| 5.40 | Datawarrior | 1 » 0 |
| 5.40 | AttenGpKa training set | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |
| 5.40 | OCHEM | 1 » 0 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | Datawarrior | 0 » -1 |
| 8.45 | AttenGpKa training set | 0 » -1 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | Hunt | 0 » -1 |
| 8.47 | QSARToolbox | 0 » -1 |