Molecule ID: mol6366
SMILES: NCCNCc1ccncc1
InChI: InChI=1S/C8H13N3/c9-3-6-11-7-8-1-4-10-5-2-8/h1-2,4-5,11H,3,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | IUPAC digitized pKa | 3 » 2 |
| 5.81 | IUPAC digitized pKa | 2 » 1 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |