Molecule ID: mol13049
SMILES: C=C1CC1CC(N)C(=O)O
InChI: InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | Datawarrior | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | Datawarrior | 0 » -1 |