Molecule ID: mol5266
SMILES: NCCCCP(=O)(O)O
InChI: InChI=1S/C4H12NO3P/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.55 | QSARToolbox | 1 » 0 |
| 2.55 | IUPAC digitized pKa | 1 » 0 |
| 2.55 | IUPAC digitized pKa | 1 » 0 |
| 2.55 | OCHEM | 1 » 0 |
| 2.55 | AttenGpKa training set | 1 » 0 |
| 7.55 | IUPAC digitized pKa | 0 » -1 |
| 7.55 | IUPAC digitized pKa | 0 » -1 |
| 7.55 | OCHEM | 0 » -1 |
| 7.55 | AttenGpKa training set | 0 » -1 |
| 7.55 | QSARToolbox | 0 » -1 |
| 10.90 | IUPAC digitized pKa | -1 » -2 |
| 10.90 | IUPAC digitized pKa | -1 » -2 |
| 10.90 | OCHEM | -1 » -2 |
| 10.90 | AttenGpKa training set | -1 » -2 |