Molecule ID: mol14903
SMILES: C(COCCc1nnn[nH]1)OCCc1nnn[nH]1
InChI: InChI=1S/C8H14N8O2/c1(7-9-13-14-10-7)3-17-5-6-18-4-2-8-11-15-16-12-8/h1-6H2,(H,9,10,13,14)(H,11,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | Datawarrior | 0 » -1 |
| 4.79 | OCHEM | 0 » -1 |
| 5.37 | OCHEM | -1 » -2 |
| 5.37 | Datawarrior | -1 » -2 |