45415 <common-name>2-[(o-nitrophenyl)azo]-p-cresol</common-name> <description nil="true"/> <cas>1435-71-8</cas> <pubchem-id>6432106</pubchem-id> <chemical-formula>C13H11N3O3</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">2016-06-03T12:02:24Z</created-at> <updated-at type="dateTime">2026-03-27T01:28:22Z</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>CC1=C\C(=N/NC2=CC=CC=C2N(=O)=O)C(=O)C=C1</moldb-smiles> <moldb-formula>C13H11N3O3</moldb-formula> <moldb-inchi>InChI=1S/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,14H,1H3/b15-11+</moldb-inchi> <moldb-inchikey>GLFDXJBEJWBCQP-RVDMUPIBSA-N</moldb-inchikey> <moldb-average-mass type="decimal">257.249</moldb-average-mass> <moldb-mono-mass type="decimal">257.080041226</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4937365</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>CHEM044310</chemdb-id> <dsstox-id>DTXSID6027399</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00005993</stoff-ident-id> <susdat-id>NS00007331</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>87.28</moldb-polar-surface-area> <moldb-refractivity>74.52339999999998</moldb-refractivity> <moldb-polarizability>25.38229679186746</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>8.967370254416709</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.890979432831153</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.81</moldb-alogps-logp> <moldb-alogps-logs>-3.60</moldb-alogps-logs> <moldb-alogps-solubility>6.46e-02 g/l</moldb-alogps-solubility> </compound>