Molecule ID: mol10545
SMILES: Cc1ccc(C(=O)O)c(I)c1
InChI: InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Datawarrior | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |