Molecule ID: mol12694
SMILES: CC1(C)CC(=O)C(=NO)C(=O)C1
InChI: InChI=1S/C8H11NO3/c1-8(2)3-5(10)7(9-12)6(11)4-8/h12H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | Datawarrior | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |
| 5.40 | OCHEM | 0 » -1 |