Molecule ID: mol13719
SMILES: Cc1ccc([C@H]2C[C@@H]2C(=O)O)cc1
InChI: InChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |