Molecule ID: mol13866
SMILES: NCCC(=O)NCCc1c[nH]cn1
InChI: InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | Datawarrior | 2 » 1 |
| 6.84 | QSARToolbox | 2 » 1 |
| 9.21 | Datawarrior | 1 » 0 |
| 9.21 | OCHEM | 1 » 0 |