Molecule ID: mol2141
SMILES: O=C(O)[C@H](O)c1cccc(Cl)c1
InChI: InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | OCHEM | 0 » -1 |
| 3.24 | Hunt | 0 » -1 |
| 3.24 | OCHEM | 0 » -1 |