17978 <common-name>Sorbinil</common-name> <description nil="true"/> <cas>68367-52-2</cas> <pubchem-id>337359</pubchem-id> <chemical-formula>C11H9FN2O3</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">2016-05-22T03:46:05Z</created-at> <updated-at type="dateTime">2026-05-14T17:45:44Z</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>DB02712</drugbank-id> <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>FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1</moldb-smiles> <moldb-formula>C11H9FN2O3</moldb-formula> <moldb-inchi>InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1</moldb-inchi> <moldb-inchikey>LXANPKRCLVQAOG-NSHDSACASA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.1992</moldb-average-mass> <moldb-mono-mass type="decimal">236.059720369</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.44</logp> <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>CHEM016873</chemdb-id> <dsstox-id>DTXSID0023587</dsstox-id> <toxcast-id>23587</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00068081</susdat-id> <iupac>(4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione</iupac> <moldb-polar-surface-area>67.42999999999999</moldb-polar-surface-area> <moldb-refractivity>54.9447</moldb-refractivity> <moldb-polarizability>20.851387540942085</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>9.147242601394275</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.853497835597688</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.59</moldb-alogps-logp> <moldb-alogps-logs>-1.95</moldb-alogps-logs> <moldb-alogps-solubility>2.63e+00 g/l</moldb-alogps-solubility> </compound>