Molecule ID: mol29303
SMILES: CCC(N)(N)C(=O)O
InChI: InChI=1S/C4H10N2O2/c1-2-4(5,6)3(7)8/h2,5-6H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | AttenGpKa training set | 2 » 1 |
| 8.24 | AttenGpKa training set | 0 » -1 |
| 10.44 | AttenGpKa training set | 0 » -1 |