Molecule ID: mol22384
SMILES: N#C/C(=C\C(=O)O)c1ccccc1
InChI: InChI=1S/C10H7NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | AttenGpKa training set | 0 » -1 |