Molecule ID: mol2139
SMILES: O=C(O)CSCCc1ccccc1
InChI: InChI=1S/C10H12O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | Hunt | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.79 | AttenGpKa training set | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | Datawarrior | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |