Molecule ID: mol19948
SMILES: Nc1nc(C2CCCC2)cc(C2CCNCC2)n1
InChI: InChI=1S/C14H22N4/c15-14-17-12(10-3-1-2-4-10)9-13(18-14)11-5-7-16-8-6-11/h9-11,16H,1-8H2,(H2,15,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 2 » 1 |
| 4.50 | Baltruschat ChEMBL | 2 » 1 |