Molecule ID: mol29353
SMILES: NC(Cc1ccccc1CI)C(=O)O
InChI: InChI=1S/C10H12INO2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.23 | AttenGpKa training set | 1 » 0 |
| 8.94 | AttenGpKa training set | 0 » -1 |