Molecule ID: mol16120
SMILES: NC(CCCCCP(=O)(O)O)C(=O)O
InChI: InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.64 | OCHEM | 0 » -1 |
| 2.64 | Baltruschat ChEMBL | 0 » -1 |
| 7.72 | OCHEM | -1 » -2 |
| 7.72 | Baltruschat ChEMBL | -1 » -2 |
| 9.84 | OCHEM | -2 » -3 |
| 9.84 | Baltruschat ChEMBL | -2 » -3 |
| 9.84 | QSARToolbox | -2 » -3 |