16392 <common-name>Benzo[f]quinoline</common-name> <description nil="true"/> <cas>85-02-9</cas> <pubchem-id>6796</pubchem-id> <chemical-formula>C13H9N</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">2016-05-19T04:47:35Z</created-at> <updated-at type="dateTime">2026-04-04T15:11:09Z</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>C1=CC=C2C(C=CC3=C2C=CC=N3)=C1</moldb-smiles> <moldb-formula>C13H9N</moldb-formula> <moldb-inchi>InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H</moldb-inchi> <moldb-inchikey>HCAUQPZEWLULFJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">179.222</moldb-average-mass> <moldb-mono-mass type="decimal">179.073499294</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>6538</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>CHEM015287</chemdb-id> <dsstox-id>DTXSID2024585</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038739</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>12.89</moldb-polar-surface-area> <moldb-refractivity>56.42950000000001</moldb-refractivity> <moldb-polarizability>19.774511087311037</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>4.239067645719866</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.43</moldb-alogps-logp> <moldb-alogps-logs>-3.78</moldb-alogps-logs> <moldb-alogps-solubility>2.94e-02 g/l</moldb-alogps-solubility> </compound>