Molecule ID: mol1683
SMILES: CSc1ccc(N)cc1I
InChI: InChI=1S/C7H8INS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | IUPAC digitized pKa | 1 » 0 |
| 3.44 | Datawarrior | 1 » 0 |
| 3.44 | Hunt | 1 » 0 |
| 3.44 | OCHEM | 1 » 0 |
| 3.44 | QSARToolbox | 1 » 0 |
| 3.44 | QSARToolbox | 1 » 0 |
| 3.44 | OCHEM | 1 » 0 |