Molecule ID: mol1368
SMILES: Nc1nccc2ccccc12
InChI: InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.37 | QSARToolbox | 1 » 0 |
| 7.37 | IUPAC digitized pKa | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.48 | OCHEM | 1 » 0 |
| 7.59 | IUPAC digitized pKa | 1 » 0 |
| 7.59 | OCHEM | 1 » 0 |
| 7.59 | Hunt | 1 » 0 |
| 7.59 | QSARToolbox | 1 » 0 |
| 7.62 | QSARToolbox | 1 » 0 |
| 7.62 | OCHEM | 1 » 0 |
| 7.62 | Datawarrior | 1 » 0 |
| 7.62 | AttenGpKa training set | 1 » 0 |
| 8.16 | IUPAC digitized pKa | 1 » 0 |