19710 <common-name>Estradiol acetate</common-name> <description nil="true"/> <cas>4245-41-4</cas> <pubchem-id nil="true"/> <chemical-formula>C20H26O3</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">2016-05-22T05:23:08Z</created-at> <updated-at type="dateTime">2026-05-14T19:38:50Z</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>DB13952</drugbank-id> <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>[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(C)=O)=CC=C4[C@@]3([H])CC[C@]12C</moldb-smiles> <moldb-formula>C20H26O3</moldb-formula> <moldb-inchi>InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1</moldb-inchi> <moldb-inchikey>FHXBMXJMKMWVRG-SLHNCBLASA-N</moldb-inchikey> <moldb-average-mass type="decimal">314.4186</moldb-average-mass> <moldb-mono-mass type="decimal">314.188194698</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.66</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>CHEM018605</chemdb-id> <dsstox-id>DTXSID7045867</dsstox-id> <toxcast-id>45867</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>89.05619999999999</moldb-refractivity> <moldb-polarizability>36.661526111799695</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>19.37769223665565</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.8839971754433246</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.91</moldb-alogps-logp> <moldb-alogps-logs>-5.24</moldb-alogps-logs> <moldb-alogps-solubility>1.83e-03 g/l</moldb-alogps-solubility> </compound>