Molecule ID: mol29402
SMILES: N#CCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C6H8N2O4/c7-1-2-8(3-5(9)10)4-6(11)12/h2-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.06 | QSARToolbox | 0 » -1 |
| 3.06 | AttenGpKa training set | 0 » -1 |
| 4.34 | AttenGpKa training set | 0 » -1 |