Molecule ID: mol10060
SMILES: O=Cc1c(O)cccc1Cl
InChI: InChI=1S/C7H5ClO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.26 | IUPAC digitized pKa | 0 » -1 |
| 8.26 | Datawarrior | 0 » -1 |
| 8.26 | OCHEM | 0 » -1 |
| 8.26 | QSARToolbox | 0 » -1 |