Molecule ID: mol3146
SMILES: NCCOP(=O)(O)O
InChI: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 1 » 0 |
| 1.33 | QSARToolbox | 1 » 0 |
| 1.64 | QSARToolbox | 1 » 0 |
| 1.64 | QSARToolbox | 1 » 0 |
| 5.57 | IUPAC digitized pKa | 0 » -1 |
| 5.77 | IUPAC digitized pKa | 0 » -1 |
| 5.78 | QSARToolbox | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |
| 5.84 | IUPAC digitized pKa | 0 » -1 |
| 5.84 | QSARToolbox | 0 » -1 |
| 5.84 | IUPAC digitized pKa | 0 » -1 |
| 5.85 | IUPAC digitized pKa | 0 » -1 |
| 5.85 | IUPAC digitized pKa | 0 » -1 |
| 5.85 | QSARToolbox | 0 » -1 |
| 5.87 | IUPAC digitized pKa | 0 » -1 |
| 5.88 | IUPAC digitized pKa | 0 » -1 |
| 5.89 | IUPAC digitized pKa | 0 » -1 |
| 10.13 | IUPAC digitized pKa | -1 » -2 |
| 10.14 | IUPAC digitized pKa | -1 » -2 |
| 10.26 | IUPAC digitized pKa | -1 » -2 |
| 10.33 | OCHEM | -1 » -2 |
| 10.38 | IUPAC digitized pKa | -1 » -2 |
| 10.64 | IUPAC digitized pKa | -1 » -2 |
| 10.89 | IUPAC digitized pKa | -1 » -2 |
| 10.89 | QSARToolbox | -1 » -2 |
| 10.92 | IUPAC digitized pKa | -1 » -2 |
| 11.23 | IUPAC digitized pKa | -1 » -2 |