Molecule ID: mol12960
SMILES: NCCCc1ccncc1
InChI: InChI=1S/C8H12N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.51 | Datawarrior | 2 » 1 |
| 5.51 | QSARToolbox | 2 » 1 |
| 9.98 | OCHEM | 1 » 0 |
| 9.98 | Datawarrior | 1 » 0 |