Molecule ID: mol6644
SMILES: c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChI: InChI=1S/C23H20N2S2/c1-4-10-18(11-5-1)16-26-22-21(20-14-8-3-9-15-20)24-23(25-22)27-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | IUPAC digitized pKa | 1 » 0 |
| 2.70 | Datawarrior | 1 » 0 |
| 2.70 | OCHEM | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |
| 10.93 | IUPAC digitized pKa | 0 » -1 |
| 10.93 | Datawarrior | 0 » -1 |
| 10.93 | OCHEM | 0 » -1 |