Molecule ID: mol14941
SMILES: C(CNCCc1nnn[nH]1)NCCc1nnn[nH]1
InChI: InChI=1S/C8H16N10/c1(7-11-15-16-12-7)3-9-5-6-10-4-2-8-13-17-18-14-8/h9-10H,1-6H2,(H,11,12,15,16)(H,13,14,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | QSARToolbox | 1 » 0 |
| 3.11 | Datawarrior | 1 » 0 |
| 3.60 | OCHEM | 1 » 0 |
| 4.09 | Datawarrior | 1 » 0 |
| 6.30 | Datawarrior | 2 » 1 |
| 9.33 | OCHEM | -1 » -2 |
| 9.33 | Datawarrior | -1 » -2 |