21951 <common-name>Ibafloxacine</common-name> <description nil="true"/> <cas>91618-36-9</cas> <pubchem-id nil="true"/> <chemical-formula>C15H14FNO3</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">2016-05-22T07:29:37Z</created-at> <updated-at type="dateTime">2026-04-05T17:00:20Z</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>CC1CCC2=C(C)C(F)=CC3=C2N1C=C(C(O)=O)C3=O</moldb-smiles> <moldb-formula>C15H14FNO3</moldb-formula> <moldb-inchi>InChI=1S/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)</moldb-inchi> <moldb-inchikey>DXKRGNXUIRKXNR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">275.279</moldb-average-mass> <moldb-mono-mass type="decimal">275.095771478</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>CHEM020846</chemdb-id> <dsstox-id>DTXSID8057853</dsstox-id> <toxcast-id>57853</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00078046</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>57.61</moldb-polar-surface-area> <moldb-refractivity>72.9148</moldb-refractivity> <moldb-polarizability>27.384282419651413</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>6.142204612198122</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.067601341400883</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.91</moldb-alogps-logp> <moldb-alogps-logs>-2.77</moldb-alogps-logs> <moldb-alogps-solubility>4.67e-01 g/l</moldb-alogps-solubility> </compound>