Molecule ID: mol15105
SMILES: CN(C)CCNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChI: InChI=1S/C16H23N3O2S/c1-18(2)12-11-17-22(20,21)16-10-6-7-13-14(16)8-5-9-15(13)19(3)4/h5-10,17H,11-12H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | QSARToolbox | 2 » 1 |
| 3.57 | Datawarrior | 2 » 1 |
| 8.33 | OCHEM | 1 » 0 |
| 8.33 | Datawarrior | 1 » 0 |
| 10.94 | Datawarrior | 0 » -1 |
| 10.94 | OCHEM | 0 » -1 |