Molecule ID: mol264
SMILES: Cc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChI: InChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.39 | QSARToolbox | 1 » 0 |
| 7.39 | AttenGpKa training set | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | Hunt | 1 » 0 |
| 7.40 | Settimo | 1 » 0 |
| 7.41 | OCHEM | 1 » 0 |
| 7.41 | IUPAC digitized pKa | 1 » 0 |
| 7.41 | Datawarrior | 1 » 0 |
| 7.44 | QSARToolbox | 1 » 0 |