Molecule ID: mol13865
SMILES: CNCC(=O)NCCc1c[nH]cn1
InChI: InChI=1S/C8H14N4O/c1-9-5-8(13)11-3-2-7-4-10-6-12-7/h4,6,9H,2-3,5H2,1H3,(H,10,12)(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.77 | QSARToolbox | 2 » 1 |
| 6.77 | Datawarrior | 2 » 1 |
| 8.31 | Datawarrior | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |