Molecule ID: mol1350
SMILES: CNc1nc(C)cc(C)n1
InChI: InChI=1S/C7H11N3/c1-5-4-6(2)10-7(8-3)9-5/h4H,1-3H3,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | Hunt | 1 » 0 |
| 5.25 | AttenGpKa training set | 1 » 0 |