Molecule ID: mol12744
SMILES: O=C(O)C1Cc2ccccc2O1
InChI: InChI=1S/C9H8O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | Datawarrior | 0 » -1 |
| 3.25 | OCHEM | 0 » -1 |
| 3.25 | QSARToolbox | 0 » -1 |
| 3.25 | QSARToolbox | 0 » -1 |