Molecule ID: mol21812
SMILES: O=S(=O)(O)CCCNC1CCCCC1
InChI: InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.35 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.40 | AttenGpKa training set | 0 » -1 |
| 10.42 | QSARToolbox | 0 » -1 |
| 10.44 | QSARToolbox | 0 » -1 |
| 10.55 | QSARToolbox | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.71 | QSARToolbox | 0 » -1 |
| 10.71 | QSARToolbox | 0 » -1 |