Molecule ID: mol3928
SMILES: CCN(CC)CCC(C1=NCCN1)c1ccccc1
InChI: InChI=1S/C16H25N3/c1-3-19(4-2)13-10-15(16-17-11-12-18-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.41 | IUPAC digitized pKa | 2 » 1 |
| 10.09 | IUPAC digitized pKa | 1 » 0 |
| 10.09 | OCHEM | 1 » 0 |