Molecule ID: mol8980
SMILES: NCCP(=O)(O)O
InChI: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | IUPAC digitized pKa | 1 » 0 |
| 2.45 | OCHEM | 1 » 0 |
| 2.45 | AttenGpKa training set | 1 » 0 |
| 2.45 | QSARToolbox | 1 » 0 |
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | OCHEM | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.00 | AttenGpKa training set | 0 » -1 |
| 10.72 | AttenGpKa training set | -1 » -2 |
| 10.80 | IUPAC digitized pKa | -1 » -2 |
| 10.80 | OCHEM | -1 » -2 |