9024 <common-name>1,4-Anthraquinone</common-name> <description nil="true"/> <cas>635-12-1</cas> <pubchem-id>69457</pubchem-id> <chemical-formula>C14H8O2</chemical-formula> <weight>208.21</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">2016-05-19T02:32:46Z</created-at> <updated-at type="dateTime">2026-08-19T08:26:04Z</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>O=C1C=CC(=O)C2=CC3=CC=CC=C3C=C12</moldb-smiles> <moldb-formula>C14H8O2</moldb-formula> <moldb-inchi>InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H</moldb-inchi> <moldb-inchikey>LSOTZYUVGZKSHR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.216</moldb-average-mass> <moldb-mono-mass type="decimal">208.052429498</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>62664</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>CHEM007919</chemdb-id> <dsstox-id>DTXSID10212899</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001744</susdat-id> <iupac>anthracene-1,4-dione</iupac> <moldb-polar-surface-area>34.14</moldb-polar-surface-area> <moldb-refractivity>62.63340000000001</moldb-refractivity> <moldb-polarizability>21.48418057097604</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>12.283827077149937</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.116358271531565</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.69</moldb-alogps-logp> <moldb-alogps-logs>-3.84</moldb-alogps-logs> <moldb-alogps-solubility>3.04e-02 g/l</moldb-alogps-solubility> </compound>