Molecule ID: mol14646
SMILES: CCc1cc(CC)c(OC)c(C(=O)NCC2CCCN2CC)c1O
InChI: InChI=1S/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | Datawarrior | 1 » 0 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |