Molecule ID: mol15327
SMILES: c1c(CN2CCNCCNCC2)n[nH]c1CN1CCNCCNCC1
InChI: InChI=1S/C17H34N8/c1-2-19-6-10-24(9-5-18-1)14-16-13-17(23-22-16)15-25-11-7-20-3-4-21-8-12-25/h13,18-21H,1-12,14-15H2,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.08 | QSARToolbox | 4 » 3 |
| 6.08 | Datawarrior | 4 » 3 |
| 6.80 | Datawarrior | 2 » 1 |
| 10.54 | Datawarrior | 0 » -1 |
| 11.25 | Datawarrior | 0 » -1 |
| 11.25 | OCHEM | 0 » -1 |