Molecule ID: mol22444
SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@@H]2C(=O)O
InChI: InChI=1S/C11H18O3/c1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14/h6-8,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+,11+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | AttenGpKa training set | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |