Molecule ID: mol36140
SMILES: O=C(O)CN(CC(=O)O)[C@H]1CC[C@@H]1N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C12H18N2O8/c15-9(16)3-13(4-10(17)18)7-1-2-8(7)14(5-11(19)20)6-12(21)22/h7-8H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | QSARToolbox | 1 » 0 |