Molecule ID: mol14683
SMILES: COc1cc([S+](C)[O-])ccc1-c1nc2ccccc2[nH]1
InChI: InChI=1S/C15H14N2O2S/c1-19-14-9-10(20(2)18)7-8-11(14)15-16-12-5-3-4-6-13(12)17-15/h3-9H,1-2H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.74 | QSARToolbox | 1 » 0 |
| 4.76 | Datawarrior | 1 » 0 |
| 4.76 | OCHEM | 1 » 0 |