Molecule ID: mol24391
SMILES: NCCCCCP(=O)(O)O
InChI: InChI=1S/C5H14NO3P/c6-4-2-1-3-5-10(7,8)9/h1-6H2,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | QSARToolbox | 1 » 0 |
| 2.60 | OCHEM | 1 » 0 |
| 2.60 | AttenGpKa training set | 1 » 0 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | OCHEM | 0 » -1 |
| 7.60 | AttenGpKa training set | 0 » -1 |
| 11.00 | OCHEM | -1 » -2 |
| 11.00 | AttenGpKa training set | -1 » -2 |