Molecule ID: mol7739
SMILES: CSc1cc(C)cc2c(C)ccnc12
InChI: InChI=1S/C12H13NS/c1-8-6-10-9(2)4-5-13-12(10)11(7-8)14-3/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | QSARToolbox | 1 » 0 |
| 4.54 | IUPAC digitized pKa | 1 » 0 |
| 4.54 | OCHEM | 1 » 0 |