Molecule ID: mol634
SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChI: InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.19 | OCHEM | 0 » -1 |
| 5.20 | Baltruschat ChEMBL | 0 » -1 |
| 5.27 | OCHEM | 0 » -1 |
| 5.30 | Datawarrior | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | Hunt | 0 » -1 |
| 5.30 | Baltruschat ChEMBL | 0 » -1 |
| 5.30 | Baltruschat ChEMBL | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |
| 5.36 | AttenGpKa training set | 0 » -1 |