Molecule ID: mol33262
SMILES: O=C(O)C1CC(C(=O)O)C(C(=O)O)NC1C(=O)O
InChI: InChI=1S/C9H11NO8/c11-6(12)2-1-3(7(13)14)5(9(17)18)10-4(2)8(15)16/h2-5,10H,1H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | OCHEM | 1 » 0 |
| 3.86 | OCHEM | -2 » -3 |