9417 <common-name>Imibenconazole</common-name> <description nil="true"/> <cas>86598-92-7</cas> <pubchem-id>93483</pubchem-id> <chemical-formula>C17H13Cl3N4S</chemical-formula> <weight>411.7</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">2016-05-19T02:43:28Z</created-at> <updated-at type="dateTime">2026-08-19T18:26:19Z</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>ClC1=CC=C(CSC(CN2C=NC=N2)=NC2=C(Cl)C=C(Cl)C=C2)C=C1</moldb-smiles> <moldb-formula>C17H13Cl3N4S</moldb-formula> <moldb-inchi>InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2</moldb-inchi> <moldb-inchikey>AGKSTYPVMZODRV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">411.73</moldb-average-mass> <moldb-mono-mass type="decimal">409.9926507</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>84387</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>CHEM008312</chemdb-id> <dsstox-id>DTXSID7058204</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003510</susdat-id> <iupac>(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate</iupac> <moldb-polar-surface-area>43.07</moldb-polar-surface-area> <moldb-refractivity>119.10669999999999</moldb-refractivity> <moldb-polarizability>39.747659859133925</moldb-polarizability> <moldb-rotatable-bond-count>6</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>2.2979970502026603</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>4.95</moldb-alogps-logp> <moldb-alogps-logs>-4.90</moldb-alogps-logs> <moldb-alogps-solubility>5.17e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Halobenzenes</subklass> </compound>