Molecule ID: mol14620
SMILES: O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H18O2S/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | AttenGpKa training set | 0 » -1 |
| 4.32 | Datawarrior | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 4.32 | OCHEM | 0 » -1 |