Molecule ID: mol13812
SMILES: COc1ccc(C2NCCS2)cc1
InChI: InChI=1S/C10H13NOS/c1-12-9-4-2-8(3-5-9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.45 | OCHEM | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.45 | Datawarrior | 1 » 0 |