Molecule ID: mol1735
SMILES: CC(=O)Oc1cccc(C(=O)O)c1
InChI: InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | QSARToolbox | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | Hunt | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |