Molecule ID: mol594
SMILES: CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1
InChI: InChI=1S/C16H26N2O2/c1-4-9-18(10-5-2)11-8-14-6-7-16(20)15(12-14)17-13(3)19/h6-7,12,20H,4-5,8-11H2,1-3H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | Hunt | 1 » 0 |
| 8.75 | Hunt | 1 » 0 |
| 10.80 | Hunt | 0 » -1 |