299551 <common-name>6-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid</common-name> <description>6-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is a benzenoid with the formula C16H10ClN3O7S and an average molecular weight of 423.80 g/mol.</description> <cas nil="true"/> <pubchem-id>136125572</pubchem-id> <chemical-formula>C16H10ClN3O7S</chemical-formula> <weight>423.8</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">2026-08-28T16:09:21Z</created-at> <updated-at type="dateTime">2026-08-28T16:09:21Z</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=CC2=C(C=CC(=C2O)N=NC3=CC(=C(C=C3O)[N+](=O)[O-])Cl)C(=C1)S(=O)(=O)O</moldb-smiles> <moldb-formula>C16H10ClN3O7S</moldb-formula> <moldb-inchi>InChI=1S/C16H10ClN3O7S/c17-10-6-12(14(21)7-13(10)20(23)24)19-18-11-5-4-8-9(16(11)22)2-1-3-15(8)28(25,26)27/h1-7,21-22H,(H,25,26,27)</moldb-inchi> <moldb-inchikey>KXSWLBMYRYQRRU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">422.9927985</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM295444</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>6-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid</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>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0250853</sync-id> <structure-inchikey>KXSWLBMYRYQRRU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>802000000000000000000000000002000000000080000000200000000000000000000000000800000000026002000800800001000000000000000000000000000000000000400000008000000020000028000000000000001804000000400000000000010000000a00000000100000000000001000000000000000800000000001000000000000800000000000000000000000001000000000000000000000000000000000000000040000080000000000000000000000080001100000000000000000040000002100040000000000000210000000000004000200000000000000000000000000000040000000000000000000001000000000400000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@(������@h�������@h�������@(������@(�������h��������(�������(������@(������@h�������@(������@(������@h�������@(�������h������� *��������(������ *���ÿ���� �����@(������@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">2026-09-19T05:09:52Z</structure-indexed-at> </compound>