Molecule ID: mol13725
SMILES: O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChI: InChI=1S/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | Datawarrior | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |