Molecule ID: mol2121
SMILES: CCC(=O)C(C[C@H](C)N1CCCCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.53 | Hunt | 1 » 0 |