Molecule ID: mol12938
SMILES: O=C(OO)c1ccccc1
InChI: InChI=1S/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Datawarrior | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 8.20 | AttenGpKa training set | 0 » -1 |