Molecule ID: mol5280
SMILES: NCP(=O)(O)O
InChI: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | IUPAC digitized pKa | 1 » 0 |
| 1.85 | OCHEM | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | AttenGpKa training set | 1 » 0 |
| 5.35 | IUPAC digitized pKa | 0 » -1 |
| 5.35 | OCHEM | 0 » -1 |
| 5.90 | IUPAC digitized pKa | 0 » -1 |
| 5.90 | AttenGpKa training set | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |
| 10.00 | IUPAC digitized pKa | -1 » -2 |
| 10.08 | QSARToolbox | -1 » -2 |
| 10.80 | IUPAC digitized pKa | -1 » -2 |
| 10.80 | OCHEM | -1 » -2 |
| 10.80 | AttenGpKa training set | -1 » -2 |