Molecule ID: mol29376
SMILES: O=C(O)C1CSC(/C=C/c2ccccc2)N1
InChI: InChI=1S/C12H13NO2S/c14-12(15)10-8-16-11(13-10)7-6-9-4-2-1-3-5-9/h1-7,10-11,13H,8H2,(H,14,15)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | AttenGpKa training set | 0 » -1 |