Molecule ID: mol34128
SMILES: CCC(NC(C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C7H11NO6/c1-2-3(5(9)10)8-4(6(11)12)7(13)14/h3-4,8H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.88 | QSARToolbox | 1 » 0 |
| 1.88 | QSARToolbox | 1 » 0 |