Molecule ID: mol4259
SMILES: CCN(CC)c1nc(N)nc(N(CC)CC)n1
InChI: InChI=1S/C11H22N6/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3,(H2,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.18 | IUPAC digitized pKa | 1 » 0 |
| 6.28 | Datawarrior | 1 » 0 |
| 6.28 | AttenGpKa training set | 1 » 0 |
| 6.28 | OCHEM | 1 » 0 |
| 7.72 | QSARToolbox | 1 » 0 |