Molecule ID: mol6365
SMILES: NCCNCc1cccnc1
InChI: InChI=1S/C8H13N3/c9-3-5-11-7-8-2-1-4-10-6-8/h1-2,4,6,11H,3,5,7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | IUPAC digitized pKa | 3 » 2 |
| 5.99 | IUPAC digitized pKa | 2 » 1 |
| 9.64 | IUPAC digitized pKa | 1 » 0 |