Molecule ID: mol14988
SMILES: O=S(=O)(Nc1ncc(Cl)cn1)c1ccc(O)cc1
InChI: InChI=1S/C10H8ClN3O3S/c11-7-5-12-10(13-6-7)14-18(16,17)9-3-1-8(15)2-4-9/h1-6,15H,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | Datawarrior | 0 » -1 |
| 5.59 | OCHEM | 0 » -1 |
| 8.84 | Datawarrior | -1 » -2 |