44278 <common-name>(17α)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile</common-name> <description nil="true"/> <cas>77881-13-1</cas> <pubchem-id>534560</pubchem-id> <chemical-formula>C20H27NO2</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">2016-06-03T10:39:51Z</created-at> <updated-at type="dateTime">2026-03-26T21:59:41Z</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>CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N</moldb-smiles> <moldb-formula>C20H27NO2</moldb-formula> <moldb-inchi>InChI=1S/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3</moldb-inchi> <moldb-inchikey>JYCSLUASXDFIEL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">313.441</moldb-average-mass> <moldb-mono-mass type="decimal">313.204179113</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>465700</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>CHEM043173</chemdb-id> <dsstox-id>DTXSID10999072</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00002017</stoff-ident-id> <susdat-id>NS00004204</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>61.09</moldb-polar-surface-area> <moldb-refractivity>89.53349999999996</moldb-refractivity> <moldb-polarizability>35.6665931544416</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>11.866238033211202</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.16950747282906</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.58</moldb-alogps-logp> <moldb-alogps-logs>-4.03</moldb-alogps-logs> <moldb-alogps-solubility>2.91e-02 g/l</moldb-alogps-solubility> </compound>