Molecule ID: mol1745
SMILES: Cc1cccc(N)n1
InChI: InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Datawarrior | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |
| 7.41 | IUPAC digitized pKa | 1 » 0 |
| 7.41 | OCHEM | 1 » 0 |
| 7.41 | OCHEM | 1 » 0 |
| 7.41 | Hunt | 1 » 0 |
| 7.41 | OCHEM | 1 » 0 |
| 7.41 | OCHEM | 1 » 0 |
| 7.60 | AttenGpKa training set | 1 » 0 |