Molecule ID: mol13573
SMILES: O=C(O)Cc1ccco1
InChI: InChI=1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | Datawarrior | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |