Molecule ID: mol10548
SMILES: Cc1c(I)cccc1C(=O)O
InChI: InChI=1S/C8H7IO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | Datawarrior | 0 » -1 |
| 3.26 | OCHEM | 0 » -1 |
| 3.26 | OCHEM | 0 » -1 |