Molecule ID: mol14256
SMILES: N#Cc1ccc(C(=O)S)cc1
InChI: InChI=1S/C8H5NOS/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | Datawarrior | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.43 | AttenGpKa training set | 0 » -1 |