139442 <common-name>AVS-100</common-name> <description>AVS-100 is an organic compound with the formula C13H11Cl2N3O4 and an average molecular weight of 344.15 g/mol. AVS-100 belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified within the superclass of benzenoids.</description> <cas>2245942-72-5</cas> <pubchem-id>135348858</pubchem-id> <chemical-formula>C13H11Cl2N3O4</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">2026-04-14T21:56:23Z</created-at> <updated-at type="dateTime">2026-05-14T20:06:30Z</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>DB18068</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>ONC(=O)C1=NOC(CCNC(=O)C2=CC=C(Cl)C(Cl)=C2)=C1</moldb-smiles> <moldb-formula>C13H11Cl2N3O4</moldb-formula> <moldb-inchi>InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)</moldb-inchi> <moldb-inchikey>JFGOILLZIAIYGA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">344.15</moldb-average-mass> <moldb-mono-mass type="decimal">343.0126612</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.56</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>CHEM135335</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>5-{2-[(3,4-dichlorophenyl)formamido]ethyl}-N-hydroxy-1,2-oxazole-3-carboxamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">22</paper-count> <sync-id>CED0029277</sync-id> <structure-inchikey>JFGOILLZIAIYGA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800004000000000000800000000000000000000000000004000000000000800040000000040000000010100002002000000000000000000000000002000000000200000000400000000000000000000020813000000000000000000000000000000000010000080000010000120000000000000000000000000000000000000000000000000000000000000000000080000000000000000000001000008000000000000000000000000000084000200000000000000000000000000000000002002000000000000000000100800000000010004000000000000200000000000000000000000000000040000000000400020000000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABCABgAAAAAQEHAGgAAAAD AgEGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQHQCgAAAADAwhAKAAAAAMCBkAo AAAAAwQGAGAAAAACAgYAYAAAAAICBwBoAAAAAwIBBgAoAAAAAwQIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABBkAo AAAAAwQRACAAAAABBkBoAAAAAwMBBkBoAAAAAwMBCwABAAECIAIDKAICBCAE BWgMBQZoDAYHaAwHCAAICQAJCgAKCyALDCgCCw0gDQ5oDA4PaAwPEGgMEBEA EBJoDBITABIUaAwHFWgMFQRoDBQNaAxCAgAAAAUEBQYHFQYODxASFA0XBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:59Z</structure-indexed-at> </compound>