Molecule ID: mol6364
SMILES: NCCNCc1ccccn1
InChI: InChI=1S/C8H13N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,4,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.84 | IUPAC digitized pKa | 3 » 2 |
| 2.33 | IUPAC digitized pKa | 3 » 2 |
| 5.74 | IUPAC digitized pKa | 2 » 1 |
| 5.91 | IUPAC digitized pKa | 2 » 1 |
| 9.54 | IUPAC digitized pKa | 1 » 0 |
| 9.78 | IUPAC digitized pKa | 1 » 0 |