Molecule ID: mol2200
SMILES: COC(=O)[C@H]1C[C@H](C)N[C@@H]2CCCC[C@H]12
InChI: InChI=1S/C12H21NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h8-11,13H,3-7H2,1-2H3/t8-,9+,10-,11+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | OCHEM | 1 » 0 |
| 9.90 | Hunt | 1 » 0 |