Molecule ID: mol12511
SMILES: CNCCNCCN
InChI: InChI=1S/C5H15N3/c1-7-4-5-8-3-2-6/h7-8H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | QSARToolbox | 3 » 2 |
| 4.64 | Datawarrior | 3 » 2 |
| 9.57 | Datawarrior | 2 » 1 |
| 10.24 | Datawarrior | 1 » 0 |
| 10.24 | OCHEM | 1 » 0 |