Molecule ID: mol22588
SMILES: O=C(O)CC1(CC(=O)O)CCCC1
InChI: InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.83 | AttenGpKa training set | 0 » -1 |
| 4.40 | OCHEM | -1 » -2 |
| 6.59 | AttenGpKa training set | -1 » -2 |
| 6.77 | QSARToolbox | -1 » -2 |