Molecule ID: mol14007
SMILES: c1ccc(C2NCCS2)cc1
InChI: InChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-10H,6-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | Datawarrior | 1 » 0 |