Molecule ID: mol14745
SMILES: CCN1CCCC1CNC(=O)c1c(O)cccc1OC
InChI: InChI=1S/C15H22N2O3/c1-3-17-9-5-6-11(17)10-16-15(19)14-12(18)7-4-8-13(14)20-2/h4,7-8,11,18H,3,5-6,9-10H2,1-2H3,(H,16,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | OCHEM | 0 » -1 |
| 8.70 | Datawarrior | 0 » -1 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |