17087 <common-name>Fenbutatin oxide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>16683004</pubchem-id> <chemical-formula>C60H80OSn2</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">2016-05-20T14:55:59Z</created-at> <updated-at type="dateTime">2026-04-05T01:58:10Z</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>O.[Sn].[Sn].[CH2]C(C)(C)C1=CC=CC=C1.[CH2]C(C)(C)C1=CC=CC=C1.[CH2]C(C)(C)C1=CC=CC=C1.[CH2]C(C)(C)C1=CC=CC=C1.[CH2]C(C)(C)C1=CC=CC=C1.[CH2]C(C)(C)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C60H80OSn2</moldb-formula> <moldb-inchi>InChI=1S/6C10H13.H2O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;1H2;;</moldb-inchi> <moldb-inchikey>LVHRFSXPIDPHTC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1054.7</moldb-average-mass> <moldb-mono-mass type="decimal">1056.425310324</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM015982</chemdb-id> <dsstox-id>DTXSID7032391</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00054660</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>9.23</moldb-polar-surface-area> <moldb-refractivity>265.28779999999995</moldb-refractivity> <moldb-polarizability>101.83309261827108</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.0357736331761065</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>10.63</moldb-alogps-logp> <moldb-alogps-logs>-8.42</moldb-alogps-logs> <moldb-alogps-solubility>3.97e-06 g/l</moldb-alogps-solubility> </compound>