Molecule ID: mol4349
SMILES: Nc1cccc2ncccc12
InChI: InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.17 | QSARToolbox | 2 » 1 |
| 0.73 | AttenGpKa training set | 2 » 1 |
| 0.97 | Datawarrior | 2 » 1 |
| 0.97 | QSARToolbox | 2 » 1 |
| 5.27 | QSARToolbox | 1 » 0 |
| 5.27 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.35 | OCHEM | 1 » 0 |
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.46 | Datawarrior | 1 » 0 |
| 5.46 | OCHEM | 1 » 0 |
| 5.46 | AttenGpKa training set | 1 » 0 |
| 5.46 | QSARToolbox | 1 » 0 |
| 5.69 | IUPAC digitized pKa | 1 » 0 |