19892 <common-name>2-Iodohippuric acid</common-name> <description nil="true"/> <cas>147-58-0</cas> <pubchem-id>8614</pubchem-id> <chemical-formula>C9H8INO3</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">2016-05-22T05:32:08Z</created-at> <updated-at type="dateTime">2026-05-14T19:51:17Z</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>DB15445</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)CN=C(O)C1=CC=CC=C1I</moldb-smiles> <moldb-formula>C9H8INO3</moldb-formula> <moldb-inchi>InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)</moldb-inchi> <moldb-inchikey>CORFWQGVBFFZHF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">305.071</moldb-average-mass> <moldb-mono-mass type="decimal">304.95489</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.45</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8295</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>CHEM018787</chemdb-id> <dsstox-id>DTXSID8046161</dsstox-id> <toxcast-id>46161</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024834</susdat-id> <iupac>2-[(2-iodophenyl)formamido]acetic acid</iupac> <moldb-polar-surface-area>69.89</moldb-polar-surface-area> <moldb-refractivity>60.0019</moldb-refractivity> <moldb-polarizability>22.985133687628313</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>2.7624581020892642</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.7951267804089716</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.05</moldb-alogps-logp> <moldb-alogps-logs>-3.29</moldb-alogps-logs> <moldb-alogps-solubility>1.57e-01 g/l</moldb-alogps-solubility> </compound>