Molecule ID: mol14676
SMILES: S=c1[nH]c(SCc2ccccc2)c(-c2ccccc2)[nH]1
InChI: InChI=1S/C16H14N2S2/c19-16-17-14(13-9-5-2-6-10-13)15(18-16)20-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.31 | Datawarrior | 2 » 1 |
| -3.31 | OCHEM | 2 » 1 |
| 9.55 | Datawarrior | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |