18595 <common-name>Acetochlor ESA</common-name> <description>Acetochlor ESA is an organic compound with the formula C14H21NO5S and an average molecular weight of 315.38 g/mol. Acetochlor ESA belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. Within the broader classification of organic compounds, it is categorized as a benzenoid. In industrial contexts, it is identified as a degradant or impurity.</description> <cas>187022-11-3</cas> <pubchem-id>6426848</pubchem-id> <chemical-formula>C14H21NO5S</chemical-formula> <weight>315.39</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">2016-05-22T04:23:45Z</created-at> <updated-at type="dateTime">2026-08-19T07:13:16Z</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>CCOCN(C(=O)CS(O)(=O)=O)C1=C(C)C=CC=C1CC</moldb-smiles> <moldb-formula>C14H21NO5S</moldb-formula> <moldb-inchi>InChI=1S/C14H21NO5S/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)</moldb-inchi> <moldb-inchikey>HXAIQOCRALNGKB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">315.38</moldb-average-mass> <moldb-mono-mass type="decimal">315.114043954</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4932268</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>CHEM017490</chemdb-id> <dsstox-id>DTXSID6037483</dsstox-id> <toxcast-id>37483</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000058</susdat-id> <iupac>2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid</iupac> <moldb-polar-surface-area>83.91000000000001</moldb-polar-surface-area> <moldb-refractivity>79.66569999999999</moldb-refractivity> <moldb-polarizability>31.871177789334126</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-0.735585939616934</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.230124219240102</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.40</moldb-alogps-logp> <moldb-alogps-logs>-3.43</moldb-alogps-logs> <moldb-alogps-solubility>1.17e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">10</paper-count> <sync-id>CED0026248</sync-id> <structure-inchikey>HXAIQOCRALNGKB-UHFFFAOYSA-N</structure-inchikey> 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