Molecule ID: mol15533
SMILES: Cc1c(C(=O)O)sc2cc(Cn3ccnc3)ccc12
InChI: InChI=1S/C14H12N2O2S/c1-9-11-3-2-10(7-16-5-4-15-8-16)6-12(11)19-13(9)14(17)18/h2-6,8H,7H2,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.35 | OCHEM | 0 » -1 |
| 6.35 | QSARToolbox | 0 » -1 |
| 6.35 | Datawarrior | 0 » -1 |