Molecule ID: mol31249
SMILES: COC(S)=C1c2ccccc2-c2ccccc21
InChI: InChI=1S/C15H12OS/c1-16-15(17)14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,17H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | AttenGpKa training set | 0 » -1 |
| 1.60 | QSARToolbox | 0 » -1 |