9094 <common-name>Pyroquilon</common-name> <description nil="true"/> <cas>57369-32-1</cas> <pubchem-id>91665</pubchem-id> <chemical-formula>C11H11NO</chemical-formula> <weight>173.21</weight> <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">2016-05-19T02:34:58Z</created-at> <updated-at type="dateTime">2026-08-18T08:12:11Z</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>DB02756</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>O=C1CCC2=CC=CC3=C2N1CC3</moldb-smiles> <moldb-formula>C11H11NO</moldb-formula> <moldb-inchi>InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2</moldb-inchi> <moldb-inchikey>XRJLAOUDSILTFT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">173.2111</moldb-average-mass> <moldb-mono-mass type="decimal">173.084063979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.42</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82768</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>CHEM007989</chemdb-id> <dsstox-id>DTXSID6058132</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004699</susdat-id> <iupac>1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one</iupac> <moldb-polar-surface-area>20.310000000000002</moldb-polar-surface-area> <moldb-refractivity>50.61140000000001</moldb-refractivity> <moldb-polarizability>18.78977771088972</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.4964955335292154</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.10</moldb-alogps-logp> <moldb-alogps-logs>-1.19</moldb-alogps-logs> <moldb-alogps-solubility>1.13e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Quinolones and derivatives</subklass> </compound>