Molecule ID: mol31403
SMILES: CCCC[C@H](N)C(=O)NO
InChI: InChI=1S/C6H14N2O2/c1-2-3-4-5(7)6(9)8-10/h5,10H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | AttenGpKa training set | 1 » 0 |
| 9.17 | AttenGpKa training set | 0 » -1 |