Molecule ID: mol13636
SMILES: ONc1ccc(O)cc1
InChI: InChI=1S/C6H7NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,7-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.14 | AttenGpKa training set | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 9.83 | OCHEM | 0 » -1 |
| 9.83 | Datawarrior | 0 » -1 |