Molecule ID: mol31396
SMILES: CCCC(N)C(=O)NO
InChI: InChI=1S/C5H12N2O2/c1-2-3-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.31 | AttenGpKa training set | 1 » 0 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.53 | AttenGpKa training set | 0 » -1 |