Molecule ID: mol21412
SMILES: O=P(O)(NCCCl)OCCCNCCCl
InChI: InChI=1S/C7H17Cl2N2O3P/c8-2-5-10-4-1-7-14-15(12,13)11-6-3-9/h10H,1-7H2,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | Baltruschat ChEMBL | 1 » 0 |
| 1.60 | QSARToolbox | 1 » 0 |