11473 <common-name>2-[4-(4-Methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol</common-name> <description nil="true"/> <cas>154825-62-4</cas> <pubchem-id nil="true"/> <chemical-formula>C22H17N3O2</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">2016-05-19T03:21:18Z</created-at> <updated-at type="dateTime">2026-03-31T16:59:55Z</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>COC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1O</moldb-smiles> <moldb-formula>C22H17N3O2</moldb-formula> <moldb-inchi>InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3</moldb-inchi> <moldb-inchikey>VARDNKCBWBOEBW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">355.397</moldb-average-mass> <moldb-mono-mass type="decimal">355.132076799</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8467204</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>CHEM010368</chemdb-id> <dsstox-id>DTXSID10889025</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007081</stoff-ident-id> <susdat-id>NS00008619</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>68.13000000000001</moldb-polar-surface-area> <moldb-refractivity>137.19900000000004</moldb-refractivity> <moldb-polarizability>39.05068355023307</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>7.252485213070051</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.2543892402792659</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.63</moldb-alogps-logp> <moldb-alogps-logs>-4.52</moldb-alogps-logs> <moldb-alogps-solubility>1.08e-02 g/l</moldb-alogps-solubility> </compound>