9376 <common-name>Cloquintocet-mexyl</common-name> <description nil="true"/> <cas>99607-70-2</cas> <pubchem-id>93528</pubchem-id> <chemical-formula>C18H22ClNO3</chemical-formula> <weight>335.8</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">2016-05-19T02:42:20Z</created-at> <updated-at type="dateTime">2026-08-20T00:44:58Z</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>CCCCCC(C)OC(=O)COC1=C2N=CC=CC2=C(Cl)C=C1</moldb-smiles> <moldb-formula>C18H22ClNO3</moldb-formula> <moldb-inchi>InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3</moldb-inchi> <moldb-inchikey>COYBRKAVBMYYSF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">335.83</moldb-average-mass> <moldb-mono-mass type="decimal">335.1288213</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>84430</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>CHEM008271</chemdb-id> <dsstox-id>DTXSID3041794</dsstox-id> <toxcast-id>41794</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000113</susdat-id> <iupac>heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate</iupac> <moldb-polar-surface-area>48.42</moldb-polar-surface-area> <moldb-refractivity>89.5954</moldb-refractivity> <moldb-polarizability>36.12231592508408</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>2.0331252982384327</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>5.41</moldb-alogps-logp> <moldb-alogps-logs>-5.42</moldb-alogps-logs> <moldb-alogps-solubility>1.29e-03 g/l</moldb-alogps-solubility> </compound>