20906 <common-name>Sarafloxacin</common-name> <description nil="true"/> <cas>98105-99-8</cas> <pubchem-id>25273230</pubchem-id> <chemical-formula>C20H17F2N3O3</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">2016-05-22T06:30:58Z</created-at> <updated-at type="dateTime">2026-05-14T19:10:04Z</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>DB11491</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>OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O</moldb-smiles> <moldb-formula>C20H17F2N3O3</moldb-formula> <moldb-inchi>InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)</moldb-inchi> <moldb-inchikey>XBHBWNFJWIASRO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">385.3641</moldb-average-mass> <moldb-mono-mass type="decimal">385.123797835</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.52</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>50727</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>CHEM019801</chemdb-id> <dsstox-id>DTXSID8048494</dsstox-id> <toxcast-id>48494</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000677</susdat-id> <iupac>6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid</iupac> <moldb-polar-surface-area>72.88</moldb-polar-surface-area> <moldb-refractivity>99.89889999999997</moldb-refractivity> <moldb-polarizability>37.15136988495837</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>5.739511618379093</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.67628873768534</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>0.29</moldb-alogps-logp> <moldb-alogps-logs>-3.56</moldb-alogps-logs> <moldb-alogps-solubility>1.05e-01 g/l</moldb-alogps-solubility> </compound>