Molecule ID: mol14109
SMILES: O=C(O)c1ccc(CCl)cc1
InChI: InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.13 | Datawarrior | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |