Molecule ID: mol4261
SMILES: CCNc1nc(N)nc(NCC)n1
InChI: InChI=1S/C7H14N6/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.52 | Datawarrior | 1 » 0 |
| 5.52 | OCHEM | 1 » 0 |
| 5.53 | IUPAC digitized pKa | 1 » 0 |
| 5.53 | AttenGpKa training set | 1 » 0 |
| 8.47 | QSARToolbox | 1 » 0 |