Molecule ID: mol21436
SMILES: CCCCCCCCCCN(Cc1nnn[nH]1)c1ccccc1
InChI: InChI=1S/C18H29N5/c1-2-3-4-5-6-7-8-12-15-23(16-18-19-21-22-20-18)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.87 | Baltruschat ChEMBL | 0 » -1 |