Molecule ID: mol12962
SMILES: NCCCc1ccccn1
InChI: InChI=1S/C8H12N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.98 | Datawarrior | 2 » 1 |
| 4.98 | QSARToolbox | 2 » 1 |
| 10.10 | Datawarrior | 1 » 0 |
| 10.10 | OCHEM | 1 » 0 |