9403 <common-name>Cinidon-ethyl</common-name> <description nil="true"/> <cas>142891-20-1</cas> <pubchem-id>5851439</pubchem-id> <chemical-formula>C19H17Cl2NO4</chemical-formula> <weight>394.2</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">2016-05-19T02:43:08Z</created-at> <updated-at type="dateTime">2026-08-20T02:12:43Z</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>[H]\C(=C(\Cl)C(=O)OCC)C1=CC(=CC=C1Cl)N1C(=O)C2=C(CCCC2)C1=O</moldb-smiles> <moldb-formula>C19H17Cl2NO4</moldb-formula> <moldb-inchi>InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10-</moldb-inchi> <moldb-inchikey>NNKKTZOEKDFTBU-YBEGLDIGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">394.25</moldb-average-mass> <moldb-mono-mass type="decimal">393.0534634</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4722745</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>CHEM008298</chemdb-id> <dsstox-id>DTXSID1036753</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00098680</susdat-id> <iupac>ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate</iupac> <moldb-polar-surface-area>63.68000000000001</moldb-polar-surface-area> <moldb-refractivity>100.25539999999995</moldb-refractivity> <moldb-polarizability>39.73424967542686</moldb-polarizability> <moldb-rotatable-bond-count>5</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>1.183035497164349</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.88</moldb-alogps-logp> <moldb-alogps-logs>-5.34</moldb-alogps-logs> <moldb-alogps-solubility>1.82e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Cinnamic acids and derivatives</klass> <subklass>Cinnamic acid esters</subklass> </compound>