Molecule ID: mol12572
SMILES: NCCCCCc1ccccn1
InChI: InChI=1S/C10H16N2/c11-8-4-1-2-6-10-7-3-5-9-12-10/h3,5,7,9H,1-2,4,6,8,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | QSARToolbox | 2 » 1 |
| 5.70 | Datawarrior | 2 » 1 |
| 10.38 | Datawarrior | 1 » 0 |
| 10.38 | OCHEM | 1 » 0 |