Molecule ID: mol2485
SMILES: CCOP(=O)(OCC)SCCN(C)C
InChI: InChI=1S/C8H20NO3PS/c1-5-11-13(10,12-6-2)14-8-7-9(3)4/h5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | IUPAC digitized pKa | 1 » 0 |
| 7.73 | OCHEM | 1 » 0 |
| 7.73 | OCHEM | 1 » 0 |
| 7.73 | Hunt | 1 » 0 |
| 7.73 | QSARToolbox | 1 » 0 |