Molecule ID: mol6362
SMILES: NCCNCCc1ccccn1
InChI: InChI=1S/C9H15N3/c10-5-8-11-7-4-9-3-1-2-6-12-9/h1-3,6,11H,4-5,7-8,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | IUPAC digitized pKa | 3 » 2 |
| 6.59 | IUPAC digitized pKa | 2 » 1 |
| 9.51 | IUPAC digitized pKa | 1 » 0 |