21897 <common-name>Morniflumate</common-name> <description nil="true"/> <cas>65847-85-0</cas> <pubchem-id>72106</pubchem-id> <chemical-formula>C19H20F3N3O3</chemical-formula> <weight>395.4</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">2016-05-22T07:25:50Z</created-at> <updated-at type="dateTime">2026-08-20T02:49:02Z</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>DB09285</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>FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1</moldb-smiles> <moldb-formula>C19H20F3N3O3</moldb-formula> <moldb-inchi>InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)</moldb-inchi> <moldb-inchikey>LDXSPUSKBDTEKA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">395.382</moldb-average-mass> <moldb-mono-mass type="decimal">395.145676005</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.77</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>CHEM020792</chemdb-id> <dsstox-id>DTXSID6057798</dsstox-id> <toxcast-id>57798</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00071652</susdat-id> <iupac>2-(morpholin-4-yl)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylate</iupac> <moldb-polar-surface-area>63.69</moldb-polar-surface-area> <moldb-refractivity>97.79339999999998</moldb-refractivity> <moldb-polarizability>38.37298024790089</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.21466849592668</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.855734359311145</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.34</moldb-alogps-logp> <moldb-alogps-logs>-3.66</moldb-alogps-logs> <moldb-alogps-solubility>8.61e-02 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>