Molecule ID: mol1257
SMILES: O=C(O)Cc1cccc(I)c1
InChI: InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | Hunt | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | AttenGpKa training set | 0 » -1 |