Molecule ID: mol29440
SMILES: NCC(=O)N[C@H](CC(N)=O)C(=O)O
InChI: InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)/t3-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.67 | QSARToolbox | 0 » -1 |
| 8.39 | AttenGpKa training set | 0 » -1 |