Molecule ID: mol14079
SMILES: C=C(C)C(C)(C(N)=O)C(=O)O
InChI: InChI=1S/C7H11NO3/c1-4(2)7(3,5(8)9)6(10)11/h1H2,2-3H3,(H2,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | Datawarrior | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |
| 3.42 | OCHEM | 0 » -1 |