Molecule ID: mol37640
SMILES: C[C@H]([C@H](C)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C12H20N2O8/c1-7(13(3-9(15)16)4-10(17)18)8(2)14(5-11(19)20)6-12(21)22/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t7-,8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.08 | QSARToolbox | -3 » -4 |