Molecule ID: mol14141
SMILES: NCCCCc1ccncc1
InChI: InChI=1S/C9H14N2/c10-6-2-1-3-9-4-7-11-8-5-9/h4-5,7-8H,1-3,6,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.81 | QSARToolbox | 2 » 1 |
| 5.81 | Datawarrior | 2 » 1 |
| 10.18 | Datawarrior | 1 » 0 |
| 10.18 | OCHEM | 1 » 0 |