18184 <common-name>Ethacrynic acid</common-name> <description nil="true"/> <cas>58-54-8</cas> <pubchem-id>3278</pubchem-id> <chemical-formula>C13H12Cl2O4</chemical-formula> <weight nil="true"/> <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">2016-05-22T03:54:48Z</created-at> <updated-at type="dateTime">2026-05-14T16:52:22Z</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>DB00903</drugbank-id> <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>CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1</moldb-smiles> <moldb-formula>C13H12Cl2O4</moldb-formula> <moldb-inchi>InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)</moldb-inchi> <moldb-inchikey>AVOLMBLBETYQHX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">303.138</moldb-average-mass> <moldb-mono-mass type="decimal">302.011264286</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.66</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3163</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>CHEM017079</chemdb-id> <dsstox-id>DTXSID3025257</dsstox-id> <toxcast-id>25257</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00009284</susdat-id> <iupac>2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid</iupac> <moldb-polar-surface-area>63.6</moldb-polar-surface-area> <moldb-refractivity>72.224</moldb-refractivity> <moldb-polarizability>28.569602930770436</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>2.7969337828715655</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.96222290828044</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.42</moldb-alogps-logp> <moldb-alogps-logs>-4.19</moldb-alogps-logs> <moldb-alogps-solubility>1.94e-02 g/l</moldb-alogps-solubility> </compound>