Molecule ID: mol13702
SMILES: CN(C)CC(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C4H13NO6P2/c1-5(2)3-4(12(6,7)8)13(9,10)11/h4H,3H2,1-2H3,(H2,6,7,8)(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Datawarrior | -1 » -2 |
| 5.75 | OCHEM | -1 » -2 |
| 5.75 | QSARToolbox | -1 » -2 |
| 8.98 | OCHEM | -2 » -3 |
| 8.98 | Datawarrior | -2 » -3 |