Molecule ID: mol15155
SMILES: CN(C)c1cccc2c(S(N)(=O)=O)cccc12
InChI: InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 9.90 | OCHEM | 0 » -1 |
| 9.90 | Datawarrior | 0 » -1 |