Molecule ID: mol34123
SMILES: Cc1ccc(Sc2ccc(N)cc2C(=O)O)cc1
InChI: InChI=1S/C14H13NO2S/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h2-8H,15H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | QSARToolbox | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |