Molecule ID: mol33869
SMILES: O=C(O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.06 | QSARToolbox | 2 » 1 |
| 6.90 | QSARToolbox | -2 » -3 |
| 9.48 | QSARToolbox | -3 » -4 |