Molecule ID: mol1656
SMILES: CSc1ccc(N)cc1Cl
InChI: InChI=1S/C7H8ClNS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 3.38 | Datawarrior | 1 » 0 |
| 3.38 | Hunt | 1 » 0 |
| 3.38 | OCHEM | 1 » 0 |
| 3.38 | QSARToolbox | 1 » 0 |