Molecule ID: mol13935
SMILES: C=CCC1(CC=C)SC(=O)NC1=O
InChI: InChI=1S/C9H11NO2S/c1-3-5-9(6-4-2)7(11)10-8(12)13-9/h3-4H,1-2,5-6H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | OCHEM | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.10 | Datawarrior | 0 » -1 |