Molecule ID: mol14968
SMILES: OCCN(CCc1nnn[nH]1)CCc1nnn[nH]1
InChI: InChI=1S/C8H15N9O/c18-6-5-17(3-1-7-9-13-14-10-7)4-2-8-11-15-16-12-8/h18H,1-6H2,(H,9,10,13,14)(H,11,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | Datawarrior | 1 » 0 |
| 4.23 | OCHEM | 1 » 0 |
| 4.23 | QSARToolbox | 1 » 0 |
| 8.90 | OCHEM | -1 » -2 |
| 8.90 | Datawarrior | -1 » -2 |