Molecule ID: mol15457
SMILES: Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1C
InChI: InChI=1S/C12H14N4O2S/c1-8-7-14-12(15-9(8)2)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | Datawarrior | 0 » -1 |
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |