44176 <common-name>1H-Inden-1-one, 6-fluoro-2,3-dihydro-2-methyl-</common-name> <description nil="true"/> <cas>37794-19-7</cas> <pubchem-id>11446522</pubchem-id> <chemical-formula>C10H9FO</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">2016-06-03T10:34:35Z</created-at> <updated-at type="dateTime">2026-03-27T01:10:58Z</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>CC1CC2=C(C=C(F)C=C2)C1=O</moldb-smiles> <moldb-formula>C10H9FO</moldb-formula> <moldb-inchi>InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3</moldb-inchi> <moldb-inchikey>BABIQLUCYVRCIX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.179</moldb-average-mass> <moldb-mono-mass type="decimal">164.063743073</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9621376</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>CHEM043071</chemdb-id> <dsstox-id>DTXSID40466065</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00001893</stoff-ident-id> <susdat-id>NS00006953</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>44.51660000000001</moldb-refractivity> <moldb-polarizability>16.3238173275572</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>16.514229291868006</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.547879564929522</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.24</moldb-alogps-logp> <moldb-alogps-logs>-2.45</moldb-alogps-logs> <moldb-alogps-solubility>5.83e-01 g/l</moldb-alogps-solubility> </compound>