44772 <common-name>10H-Phenothiazine 5,5-dioxide</common-name> <description nil="true"/> <cas>1209-66-1</cas> <pubchem-id>71024</pubchem-id> <chemical-formula>C12H9NO2S</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">2016-06-03T11:08:52Z</created-at> <updated-at type="dateTime">2026-03-27T00:36:55Z</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=S1(=O)C2=CC=CC=C2NC2=CC=CC=C12</moldb-smiles> <moldb-formula>C12H9NO2S</moldb-formula> <moldb-inchi>InChI=1S/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H</moldb-inchi> <moldb-inchikey>ZAYUOSICZWFJSW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">231.27</moldb-average-mass> <moldb-mono-mass type="decimal">231.035399708</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>64184</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>CHEM043667</chemdb-id> <dsstox-id>DTXSID30153058</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Howard & Muir 2013</stoff-ident-origin> <stoff-ident-id>SI00003215</stoff-ident-id> <susdat-id>NS00006140</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>46.17</moldb-polar-surface-area> <moldb-refractivity>62.018400000000014</moldb-refractivity> <moldb-polarizability>22.999116606461175</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.921599993167941</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-5.20988026829193</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.30</moldb-alogps-logp> <moldb-alogps-logs>-2.75</moldb-alogps-logs> <moldb-alogps-solubility>4.11e-01 g/l</moldb-alogps-solubility> </compound>