Molecule ID: mol4451
SMILES: Cc1ccnc2ccccc12
InChI: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | AttenGpKa training set | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.51 | Datawarrior | 1 » 0 |
| 5.51 | OCHEM | 1 » 0 |
| 5.59 | IUPAC digitized pKa | 1 » 0 |
| 5.59 | QSARToolbox | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.67 | IUPAC digitized pKa | 1 » 0 |
| 5.67 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |