Molecule ID: mol13811
SMILES: COc1cccc(C2NCCS2)c1
InChI: InChI=1S/C10H13NOS/c1-12-9-4-2-3-8(7-9)10-11-5-6-13-10/h2-4,7,10-11H,5-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.12 | QSARToolbox | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | Datawarrior | 1 » 0 |