Molecule ID: mol33771
SMILES: CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
InChI: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 2 » 1 |
| 8.50 | QSARToolbox | 1 » 0 |