Molecule ID: mol14143
SMILES: NCCCCc1ccccn1
InChI: InChI=1S/C9H14N2/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6,8H,1,3,5,7,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | QSARToolbox | 2 » 1 |
| 5.56 | Datawarrior | 2 » 1 |
| 10.30 | Datawarrior | 1 » 0 |
| 10.30 | OCHEM | 1 » 0 |