Molecule ID: mol12372
SMILES: CCc1nc(C)c[nH]1
InChI: InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Datawarrior | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.68 | AttenGpKa training set | 1 » 0 |