347975 <common-name>12-(4-phenylmethoxyphenoxy)-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline</common-name> <description>12-(4-phenylmethoxyphenoxy)-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline is a chemical compound with the formula C28H27NO2. 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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>C1CCCC2=NC3=CC=CC=C3C(=C2CC1)OC4=CC=C(C=C4)OCC5=CC=CC=C5</moldb-smiles> <moldb-formula>C28H27NO2</moldb-formula> <moldb-inchi>InChI=1S/C28H27NO2/c1-2-7-14-26-24(12-6-1)28(25-13-8-9-15-27(25)29-26)31-23-18-16-22(17-19-23)30-20-21-10-4-3-5-11-21/h3-5,8-11,13,15-19H,1-2,6-7,12,14,20H2</moldb-inchi> <moldb-inchikey>GNGJZDOFFYNLRC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">409.2041791</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM343868</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>12-(4-phenylmethoxyphenoxy)-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298311</sync-id> <structure-inchikey>GNGJZDOFFYNLRC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800002100000000000000000000040000000000000000000080040000200200400000040002004000000000000000000000000000000010000000000000000000000000000000002000000000100008200000040000000000000000000000000000000000000000000020000000000000000000000000800000000200000804000000000000000000400000100000000000000000008000000802000000000040000080100000000000000080000000000000000000000000000040000000000400000000000000000000000000000200220000000000000000000000001000040000000000000000008000000000000000000000020</structure-fingerprint> 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