Molecule ID: mol5983
SMILES: Nc1ccc(I)cc1N
InChI: InChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | QSARToolbox | 1 » 0 |
| 3.57 | QSARToolbox | 1 » 0 |
| 3.63 | OCHEM | 1 » 0 |
| 3.68 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | QSARToolbox | 1 » 0 |