Molecule ID: mol29429
SMILES: C[C@H](N)C(=O)N[C@H](C)C(=O)O
InChI: InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | AttenGpKa training set | 1 » 0 |
| 8.30 | AttenGpKa training set | 0 » -1 |