Molecule ID: mol13150
SMILES: O=C(O)[C@@]1(Cl)[C@@H]2CCC[C@@H]21
InChI: InChI=1S/C7H9ClO2/c8-7(6(9)10)4-2-1-3-5(4)7/h4-5H,1-3H2,(H,9,10)/t4-,5+,7-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | Datawarrior | 0 » -1 |