Molecule ID: mol21684
SMILES: CC(C)NCC(O)COc1ccccc1OCC(O)CNC(C)C
InChI: InChI=1S/C18H32N2O4/c1-13(2)19-9-15(21)11-23-17-7-5-6-8-18(17)24-12-16(22)10-20-14(3)4/h5-8,13-16,19-22H,9-12H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.22 | OCHEM | 1 » 0 |
| 9.22 | Baltruschat ChEMBL | 1 » 0 |
| 9.22 | QSARToolbox | 1 » 0 |