21944 <common-name>Fluoroquinolonic acid</common-name> <description>Fluoroquinolonic acid belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C13H9ClFNO3 and an average molecular weight of 281.67 g/mol.</description> <cas>86393-33-1</cas> <pubchem-id>483180</pubchem-id> <chemical-formula>C13H9ClFNO3</chemical-formula> <weight>281.66</weight> <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">2016-05-22T07:29:10Z</created-at> <updated-at type="dateTime">2026-08-19T03:29:46Z</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>OC(=O)C1=CN(C2CC2)C2=C(C=C(F)C(Cl)=C2)C1=O</moldb-smiles> <moldb-formula>C13H9ClFNO3</moldb-formula> <moldb-inchi>InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)</moldb-inchi> <moldb-inchikey>ISPVACVJFUIDPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">281.67</moldb-average-mass> <moldb-mono-mass type="decimal">281.025499</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>423750</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>CHEM020839</chemdb-id> <dsstox-id>DTXSID9057846</dsstox-id> <toxcast-id>57846</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039125</susdat-id> <iupac>7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid</iupac> <moldb-polar-surface-area>57.61</moldb-polar-surface-area> <moldb-refractivity>67.56020000000002</moldb-refractivity> <moldb-polarizability>25.63871059198634</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>5.6862293923081735</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.742079025798617</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.12</moldb-alogps-logp> <moldb-alogps-logs>-2.91</moldb-alogps-logs> <moldb-alogps-solubility>3.50e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Quinoline carboxylic acids</subklass> <paper-count type="integer">57579</paper-count> <sync-id>CED0001326</sync-id> <structure-inchikey>ISPVACVJFUIDPD-UHFFFAOYSA-N</structure-inchikey> 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