Molecule ID: mol8506
SMILES: O=S(=O)(O)CCN(CCO)CCO
InChI: InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | IUPAC digitized pKa | 0 » -1 |
| 7.07 | QSARToolbox | 0 » -1 |
| 7.11 | QSARToolbox | 0 » -1 |
| 7.16 | AttenGpKa training set | 0 » -1 |
| 7.17 | IUPAC digitized pKa | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.22 | QSARToolbox | 0 » -1 |
| 7.24 | QSARToolbox | 0 » -1 |
| 7.26 | QSARToolbox | 0 » -1 |
| 7.26 | QSARToolbox | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |