Molecule ID: mol13910
SMILES: CC(C)CSC(=N)c1ccccc1
InChI: InChI=1S/C11H15NS/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | Datawarrior | 1 » 0 |
| 8.22 | QSARToolbox | 1 » 0 |
| 8.22 | OCHEM | 1 » 0 |