Molecule ID: mol7529
SMILES: CCc1c(N)nc(N)nc1N
InChI: InChI=1S/C6H11N5/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3,(H6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.55 | QSARToolbox | 2 » 1 |
| 6.84 | IUPAC digitized pKa | 1 » 0 |
| 6.84 | OCHEM | 1 » 0 |
| 6.84 | QSARToolbox | 1 » 0 |