Molecule ID: mol6549
SMILES: c1ccc(CCNCCc2ccccn2)nc1
InChI: InChI=1S/C14H17N3/c1-3-9-16-13(5-1)7-11-15-12-8-14-6-2-4-10-17-14/h1-6,9-10,15H,7-8,11-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 2 » 1 |
| 4.08 | IUPAC digitized pKa | 3 » 2 |
| 8.95 | IUPAC digitized pKa | 1 » 0 |