Molecule ID: mol10279
SMILES: N#Cc1cc(I)c(O)c(I)c1
InChI: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.02 | AttenGpKa training set | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |