Molecule ID: mol22616
SMILES: O=C(O)CC1(CC(=O)O)CCCCCC1
InChI: InChI=1S/C11H18O4/c12-9(13)7-11(8-10(14)15)5-3-1-2-4-6-11/h1-8H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | AttenGpKa training set | 0 » -1 |
| 6.99 | AttenGpKa training set | -1 » -2 |