Molecule ID: mol32280
SMILES: C=C(C)C1CNC(C(=O)O)C1CC(N)=O
InChI: InChI=1S/C10H16N2O3/c1-5(2)7-4-12-9(10(14)15)6(7)3-8(11)13/h6-7,9,12H,1,3-4H2,2H3,(H2,11,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | OCHEM | 1 » 0 |
| 9.47 | OCHEM | 0 » -1 |