Molecule ID: mol2146
SMILES: CCc1cnc(NC)nc1
InChI: InChI=1S/C7H11N3/c1-3-6-4-9-7(8-2)10-5-6/h4-5H,3H2,1-2H3,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | IUPAC digitized pKa | 1 » 0 |
| 4.29 | Hunt | 1 » 0 |
| 4.31 | AttenGpKa training set | 1 » 0 |