Molecule ID: mol15031
SMILES: COc1cc(NS(C)(=O)=O)ccc1-c1cn2cccnc2n1
InChI: InChI=1S/C14H14N4O3S/c1-21-13-8-10(17-22(2,19)20)4-5-11(13)12-9-18-7-3-6-15-14(18)16-12/h3-9,17H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | Datawarrior | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |