Molecule ID: mol15401
SMILES: CC1=C(CC(C)NCC(O)c2ccccc2)CCC1(C)C
InChI: InChI=1S/C19H29NO/c1-14(12-17-10-11-19(3,4)15(17)2)20-13-18(21)16-8-6-5-7-9-16/h5-9,14,18,20-21H,10-13H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.84 | Datawarrior | 1 » 0 |
| 8.84 | OCHEM | 1 » 0 |