Molecule ID: mol12802
SMILES: Cc1cccc(C2NCCS2)c1
InChI: InChI=1S/C10H13NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7,10-11H,5-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | Datawarrior | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |