Molecule ID: mol22600
SMILES: O=C(O)CC1(CC(=O)O)CCCCC1
InChI: InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.48 | QSARToolbox | 0 » -1 |
| 3.48 | QSARToolbox | 0 » -1 |
| 3.49 | AttenGpKa training set | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.62 | QSARToolbox | 0 » -1 |
| 3.80 | OCHEM | -1 » -2 |
| 6.97 | QSARToolbox | -1 » -2 |
| 7.00 | QSARToolbox | -1 » -2 |
| 7.04 | AttenGpKa training set | -1 » -2 |