Molecule ID: mol22265
SMILES: N#CC12CC(C(=O)O)(C1)C2
InChI: InChI=1S/C7H7NO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-3H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | AttenGpKa training set | 0 » -1 |
| 3.21 | QSARToolbox | 0 » -1 |
| 3.21 | QSARToolbox | 0 » -1 |