78521 <common-name>2-Chloro-3-((2-hydroxyethyl)amino)-1,4-naphthoquinone</common-name> <description>2-Chloro-3-((2-hydroxyethyl)amino)-1,4-naphthoquinone belongs to the naphthoquinones, a subclass of naphthalenes within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C12H10Cl1N1O3. This compound has an average molecular weight of 251.67 g/mol.</description> <cas>69844-34-4</cas> <pubchem-id>97529</pubchem-id> <chemical-formula>C12H10Cl1N1O3</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">2026-04-04T12:36:52Z</created-at> <updated-at type="dateTime">2026-04-04T12:36:52Z</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>OCCNC1=C(Cl)C(=O)C2=CC=CC=C2C1=O</moldb-smiles> <moldb-formula>C12H10Cl1N1O3</moldb-formula> <moldb-inchi>InChI=1S/C12H10ClNO3/c13-9-10(14-5-6-15)12(17)8-4-2-1-3-7(8)11(9)16/h1-4,14-15H,5-6H2</moldb-inchi> <moldb-inchikey>MMDFQYYYJMKZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">251.67</moldb-average-mass> <moldb-mono-mass type="decimal">251.034921</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>889</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>CHEM074414</chemdb-id> <dsstox-id>DTXSID30220138</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036963</susdat-id> <iupac>2-chloro-3-(2-hydroxyethylamino)naphthalene-1,4-dione</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>Naphthoquinones</subklass> <paper-count type="integer">5</paper-count> <sync-id>CED0042690</sync-id> <structure-inchikey>MNAMDFQYYYJMKZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000002000000000000000000000020000000008000000000800020000000000000004000000000800000000000400000000000000000000020001000000000000010000000000000000000010000000000000000000000000000000000000000000080000000000000000000000000800000000000000080000000000100000000000000000000000000000080000000000000080000000080002000000000080000000000000000000000000800000000000000000000000010200000000000040200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������h��������(�������(������� ������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������(����������������� ��(������ ��(�� h� �h���h�� h� �h��� ��(��� � h�B�������� ��� �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:58Z</structure-indexed-at> </compound>