Molecule ID: mol12803
SMILES: Cc1ccc(C2NCCS2)cc1
InChI: InChI=1S/C10H13NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | OCHEM | 1 » 0 |
| 5.35 | QSARToolbox | 1 » 0 |
| 5.35 | QSARToolbox | 1 » 0 |
| 5.35 | Datawarrior | 1 » 0 |