20066 <common-name>Nifuraldezone</common-name> <description>Nifuraldezone is an organic compound with the formula C7H6N4O5 and an average molecular weight of 226.15 g/mol. Nifuraldezone belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in one recorded source, specifically within household cleaning and consumer products such as tobacco smoke filters.</description> <cas>3270-71-1</cas> <pubchem-id>18637</pubchem-id> <chemical-formula>C7H6N4O5</chemical-formula> <weight>226.15</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">2016-05-22T05:42:59Z</created-at> <updated-at type="dateTime">2026-08-24T06:04:16Z</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>NC(=O)C(O)=NN=CC1=CC=C(O1)N(=O)=O</moldb-smiles> <moldb-formula>C7H6N4O5</moldb-formula> <moldb-inchi>InChI=1S/C7H6N4O5/c8-6(12)7(13)10-9-3-4-1-2-5(16-4)11(14)15/h1-3H,(H2,8,12)(H,10,13)</moldb-inchi> <moldb-inchikey>AJSKOLZKIUMPPG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">226.148</moldb-average-mass> <moldb-mono-mass type="decimal">226.033819309</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17599</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>CHEM018961</chemdb-id> <dsstox-id>DTXSID6046399</dsstox-id> <toxcast-id>46399</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029320</susdat-id> <iupac>N'-[(5-nitrofuran-2-yl)methylideneamino]oxamide</iupac> <moldb-polar-surface-area>147.0</moldb-polar-surface-area> <moldb-refractivity>50.672700000000006</moldb-refractivity> <moldb-polarizability>19.46359612543204</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>3.3434943267199198</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.279046357069334</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.52</moldb-alogps-logp> <moldb-alogps-logs>-3.24</moldb-alogps-logs> <moldb-alogps-solubility>1.32e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0037325</sync-id> <structure-inchikey>AJSKOLZKIUMPPG-UHFFFAOYSA-N</structure-inchikey> 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<structure-indexed-at type="dateTime">2026-09-19T04:07:57Z</structure-indexed-at> </compound>