Molecule ID: mol12961
SMILES: NCCCc1cccnc1
InChI: InChI=1S/C8H12N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.19 | Datawarrior | 2 » 1 |
| 5.19 | QSARToolbox | 2 » 1 |
| 10.05 | Datawarrior | 1 » 0 |
| 10.05 | OCHEM | 1 » 0 |