Molecule ID: mol8522
SMILES: NC[C@H](N)C(=O)O
InChI: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.59 | IUPAC digitized pKa | 2 » 1 |
| 2.19 | AttenGpKa training set | 2 » 1 |
| 6.76 | IUPAC digitized pKa | 1 » 0 |
| 9.21 | AttenGpKa training set | 0 » -1 |
| 9.34 | IUPAC digitized pKa | 0 » -1 |