Molecule ID: mol33990
SMILES: NCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.72 | QSARToolbox | 0 » -1 |
| 2.72 | QSARToolbox | 0 » -1 |
| 8.73 | QSARToolbox | -2 » -3 |
| 10.50 | QSARToolbox | -2 » -3 |
| 11.60 | QSARToolbox | -3 » -4 |