Molecule ID: mol9087
SMILES: O=P(O)(O)CCCP(=O)(O)O
InChI: InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | IUPAC digitized pKa | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | AttenGpKa training set | 0 » -1 |
| 2.60 | QSARToolbox | -1 » -2 |
| 2.60 | IUPAC digitized pKa | -1 » -2 |
| 2.60 | IUPAC digitized pKa | -1 » -2 |
| 2.63 | AttenGpKa training set | -1 » -2 |
| 2.65 | QSARToolbox | -1 » -2 |
| 3.06 | IUPAC digitized pKa | -1 » -2 |
| 7.17 | AttenGpKa training set | -2 » -3 |
| 7.34 | IUPAC digitized pKa | -2 » -3 |
| 7.34 | IUPAC digitized pKa | -2 » -3 |
| 7.34 | QSARToolbox | -2 » -3 |
| 7.65 | IUPAC digitized pKa | -2 » -3 |
| 8.35 | IUPAC digitized pKa | -3 » -4 |
| 8.35 | IUPAC digitized pKa | -3 » -4 |
| 8.63 | IUPAC digitized pKa | -3 » -4 |
| 8.81 | AttenGpKa training set | -3 » -4 |