Molecule ID: mol14699
SMILES: CO[C@H]1CC=C2CCN3CCC(CO)=C(CCO)[C@]23C1
InChI: InChI=1S/C16H25NO3/c1-20-14-3-2-13-5-8-17-7-4-12(11-19)15(6-9-18)16(13,17)10-14/h2,14,18-19H,3-11H2,1H3/t14-,16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.69 | Datawarrior | 1 » 0 |