Molecule ID: mol34901
SMILES: CC1(C)CN(CC(=O)O)CCN(CC(=O)O)CC(C)(C)CN(CC(=O)O)CCN(CC(=O)O)C1
InChI: InChI=1S/C22H40N4O8/c1-21(2)13-23(9-17(27)28)5-7-25(11-19(31)32)15-22(3,4)16-26(12-20(33)34)8-6-24(14-21)10-18(29)30/h5-16H2,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | QSARToolbox | 2 » 1 |