Molecule ID: mol36139
SMILES: O=C(O)CN(CC(=O)O)[C@H]1CCC[C@@H]1N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C13H20N2O8/c16-10(17)4-14(5-11(18)19)8-2-1-3-9(8)15(6-12(20)21)7-13(22)23/h8-9H,1-7H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/t8-,9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | QSARToolbox | 0 » -1 |