Molecule ID: mol23275
SMILES: O=C(O)CC[n+]1ccccc1
InChI: InChI=1S/C8H9NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.34 | QSARToolbox | 1 » 0 |
| 3.34 | QSARToolbox | 1 » 0 |
| 3.34 | AttenGpKa training set | 1 » 0 |