Molecule ID: mol4268
SMILES: CCN(CC)c1nc(N)nc(N)n1
InChI: InChI=1S/C7H14N6/c1-3-13(4-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H4,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.61 | Datawarrior | 1 » 0 |
| 5.61 | OCHEM | 1 » 0 |
| 5.62 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | AttenGpKa training set | 1 » 0 |
| 8.38 | QSARToolbox | 1 » 0 |