Molecule ID: mol14053
SMILES: C=CCNCCCNCC=C
InChI: InChI=1S/C9H18N2/c1-3-6-10-8-5-9-11-7-4-2/h3-4,10-11H,1-2,5-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.18 | Datawarrior | 2 » 1 |
| 8.18 | QSARToolbox | 2 » 1 |
| 10.04 | Datawarrior | 1 » 0 |
| 10.04 | OCHEM | 1 » 0 |