Molecule ID: mol15613
SMILES: CCc1cc(Cl)c(O)c(C(=O)NCC2CCCN2CC)c1OC
InChI: InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)15(21)14(16(11)23-3)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.91 | OCHEM | 1 » 0 |
| 6.91 | Datawarrior | 1 » 0 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |