Molecule ID: mol3923
SMILES: Cc1nc(C)c(C)[nH]1
InChI: InChI=1S/C6H10N2/c1-4-5(2)8-6(3)7-4/h1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.92 | OCHEM | 1 » 0 |
| 8.92 | OCHEM | 1 » 0 |
| 8.92 | AttenGpKa training set | 1 » 0 |
| 8.92 | QSARToolbox | 1 » 0 |