18640 <common-name>Sodium pentachlorophenate</common-name> <description nil="true"/> <cas>131-52-2</cas> <pubchem-id>23663539</pubchem-id> <chemical-formula>C6Cl5NaO</chemical-formula> <weight>288.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T04:26:40Z</created-at> <updated-at type="dateTime">2026-04-16T22:42:21Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Na+].[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl</moldb-smiles> <moldb-formula>C6Cl5NaO</moldb-formula> <moldb-inchi>InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1</moldb-inchi> <moldb-inchikey>HCJLVWUMMKIQIM-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">288.3</moldb-average-mass> <moldb-mono-mass type="decimal">285.8289474</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8250</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM017535</chemdb-id> <dsstox-id>DTXSID4040264</dsstox-id> <toxcast-id>40264</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00076305</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>23.06</moldb-polar-surface-area> <moldb-refractivity>62.6132</moldb-refractivity> <moldb-polarizability>20.16209074485288</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>4.982652364488855</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-8.45473357950942</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>5.42</moldb-alogps-logp> <moldb-alogps-logs>-4.92</moldb-alogps-logs> <moldb-alogps-solubility>3.44e-03 g/l</moldb-alogps-solubility> </compound>