9245 <common-name>2-Hydroxyestradiol</common-name> <description nil="true"/> <cas>362-05-0</cas> <pubchem-id>247304</pubchem-id> <chemical-formula>C18H24O3</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">2016-05-19T02:39:14Z</created-at> <updated-at type="dateTime">2026-05-14T18:45:08Z</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>DB07706</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@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3</moldb-smiles> <moldb-formula>C18H24O3</moldb-formula> <moldb-inchi>InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1</moldb-inchi> <moldb-inchikey>DILDHNKDVHLEQB-XSSYPUMDSA-N</moldb-inchikey> <moldb-average-mass type="decimal">288.3814</moldb-average-mass> <moldb-mono-mass type="decimal">288.172544634</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.44</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9303</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>CHEM008140</chemdb-id> <dsstox-id>DTXSID3022372</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015251</susdat-id> <iupac>(1S,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7,8-triol</iupac> <moldb-polar-surface-area>60.69</moldb-polar-surface-area> <moldb-refractivity>81.88559999999998</moldb-refractivity> <moldb-polarizability>33.08384555533665</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>9.670359586392452</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.8839974157007265</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.39</moldb-alogps-logp> <moldb-alogps-logs>-3.75</moldb-alogps-logs> <moldb-alogps-solubility>5.11e-02 g/l</moldb-alogps-solubility> </compound>