Molecule ID: mol13241
SMILES: CCCSC(=O)CCCc1c[nH]cn1
InChI: InChI=1S/C10H16N2OS/c1-2-6-14-10(13)5-3-4-9-7-11-8-12-9/h7-8H,2-6H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | Datawarrior | 1 » 0 |
| 7.55 | QSARToolbox | 1 » 0 |
| 7.55 | OCHEM | 1 » 0 |