Molecule ID: mol15428
SMILES: Cc1nc(-c2ccccc2SCc2ccccc2)[nH]c1C
InChI: InChI=1S/C18H18N2S/c1-13-14(2)20-18(19-13)16-10-6-7-11-17(16)21-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Datawarrior | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |