Molecule ID: mol12796
SMILES: Clc1ccc(C2NCCS2)cc1
InChI: InChI=1S/C9H10ClNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9,11H,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.01 | Datawarrior | 1 » 0 |
| 5.01 | OCHEM | 1 » 0 |
| 5.01 | QSARToolbox | 1 » 0 |
| 5.01 | QSARToolbox | 1 » 0 |