326459 <common-name>1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]naphthalen-2-ol</common-name> <description>1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]naphthalen-2-ol is a chemical compound with the formula C21H21N3O4. It has an average molecular weight of 379.40 g/mol.</description> <cas>96265-51-9</cas> <pubchem-id>135596601</pubchem-id> <chemical-formula>C21H21N3O4</chemical-formula> <weight>379.4</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">2026-08-30T04:45:54Z</created-at> <updated-at type="dateTime">2026-08-30T04:45:54Z</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>CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2=C(C=CC3=CC=CC=C32)O</moldb-smiles> <moldb-formula>C21H21N3O4</moldb-formula> <moldb-inchi>InChI=1S/C21H21N3O4/c1-4-21(2,3)14-11-16(20(26)17(12-14)24(27)28)22-23-19-15-8-6-5-7-13(15)9-10-18(19)25/h5-12,25-26H,4H2,1-3H3</moldb-inchi> <moldb-inchikey>CZBFBSUXMLZAMK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">379.1532062</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.8</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>CHEM322352</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>1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]naphthalen-2-ol</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>Naphthalenes</klass> <subklass>Naphthols and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277078</sync-id> <structure-inchikey>CZBFBSUXMLZAMK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000800000002000000000000000000000300000000000000000010003000000040000002000000000800000000000000000000000000000200000000000000000000000082000000020000000000000001804000000400000001000010000000200000000100000000000001000000000000000000000000000000040000001800080000000000020000000001100000000000000000002000000000000000000040000080000000040800000000000100001010000000000000080040000202100000000000000400000000000000000000200000000000000000000000801000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`������@(������@h�������@(������@(������@(������@h������� *��������(������ *���ÿ����h��������(�������(������@(������@(������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(�������h������������������������h���h���h�� h� h� � ��(�� �� �� ��(��� ��h���h���h���h���h���h���h���h���h��� �h���h���h�B������ ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:05Z</structure-indexed-at> </compound>