Molecule ID: mol15091
SMILES: CCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1O
InChI: InChI=1S/C17H26N2O3/c1-4-12-8-9-14(22-3)15(16(12)20)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Datawarrior | 1 » 0 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |