Molecule ID: mol12000
SMILES: COc1ccc(NC(=S)c2ccccc2)cc1
InChI: InChI=1S/C14H13NOS/c1-16-13-9-7-12(8-10-13)15-14(17)11-5-3-2-4-6-11/h2-10H,1H3,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.00 | IUPAC digitized pKa | 0 » -1 |
| 11.00 | QSARToolbox | 0 » -1 |
| 11.36 | Datawarrior | 0 » -1 |
| 11.36 | OCHEM | 0 » -1 |