Molecule ID: mol14479
SMILES: Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1
InChI: InChI=1S/C10H15N3O2S/c1-8-2-4-9(5-3-8)16(14,15)13-7-6-10(11)12/h2-5,13H,6-7H2,1H3,(H3,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.49 | OCHEM | 1 » 0 |
| 9.49 | Datawarrior | 1 » 0 |
| 9.49 | AttenGpKa training set | 1 » 0 |
| 10.80 | Datawarrior | 1 » 0 |
| 10.80 | AttenGpKa training set | 1 » 0 |
| 10.80 | QSARToolbox | 1 » 0 |