346081 <common-name>[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(4-nitrophenyl)methanone</common-name> <description>[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(4-nitrophenyl)methanone is a chemical compound with the formula C27H23N2O5+. It has an average molecular weight of 455.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3065531</pubchem-id> <chemical-formula>C27H23N2O5+</chemical-formula> <weight>455.5</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">2026-08-31T09:24:14Z</created-at> <updated-at type="dateTime">2026-08-31T09:24:14Z</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>C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])O</moldb-smiles> <moldb-formula>C27H23N2O5+</moldb-formula> <moldb-inchi>InChI=1S/C27H23N2O5/c30-25(18-28-16-14-21(15-17-28)20-4-2-1-3-5-20)19-34-26-12-8-23(9-13-26)27(31)22-6-10-24(11-7-22)29(32)33/h1-17,25,30H,18-19H2/q+1</moldb-inchi> <moldb-inchikey>ZLXVFPHHVODMER-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">455.1606968</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM341974</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>[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(4-nitrophenyl)methanone</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>Benzophenones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296435</sync-id> <structure-inchikey>ZLXVFPHHVODMER-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40420000000000000000800002400200000000040000000000000000100000000000000000000000200000000000000004000000000000000001000000000000000080000000000000100000000000000020200000000100001200008000400040000000010400000200000000000000000000000000000000000000001000000000000000002000800000000000000000800000001100000000000000000020000000000000000000000000084000000000000004080000000000000000000000000000000000000000000000000000000000004000000000000200000100000000420000000000000040000000000400000000001800000000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQdgKgAAAAEDBAZAaAAAAAMDAQZAaAAAAAMD AQYAYAAAAAICBgBgAAAAAwEGAGAAAAACAggAKAAAAAMCBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQYAKAAA AAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwEI AGAAAAABAQsAAWgMAQJoDAIDaAwDBGgMBAVoDAMGIAYHaAwHCGgMCAloDAkK aAwKC2gMCQwADA0ADQ4ADg8ADxAgEBFoDBESaAwSE2gMExRoDBQVaAwTFiAW FygCFhggGBloDBkaaAwaG2gMGxxoDBwdaAwbHiAeHygCHiAgDSEABQBoDAsG aAwVEGgMHRhoDEIEAAAABgAFBAMCAQYHCAkKCwYGERITFBUQBhkaGxwdGBcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:55Z</structure-indexed-at> </compound>