Molecule ID: mol21408
SMILES: O=P(O)(O)OCCCNCCCl
InChI: InChI=1S/C5H13ClNO4P/c6-2-4-7-3-1-5-11-12(8,9)10/h7H,1-5H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.80 | Baltruschat ChEMBL | 1 » 0 |
| 5.90 | Baltruschat ChEMBL | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |