Molecule ID: mol9577
SMILES: O=C(O)C1(O)CCCC1
InChI: InChI=1S/C6H10O3/c7-5(8)6(9)3-1-2-4-6/h9H,1-4H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.92 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | IUPAC digitized pKa | 0 » -1 |
| 4.01 | IUPAC digitized pKa | 0 » -1 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.05 | IUPAC digitized pKa | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 4.11 | Datawarrior | 0 » -1 |
| 4.11 | OCHEM | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |
| 4.16 | IUPAC digitized pKa | 0 » -1 |