11317 <common-name>Benzoic acid, 3-amino-4-chloro-, hexadecyl ester</common-name> <description nil="true"/> <cas>143269-74-3</cas> <pubchem-id>4395990</pubchem-id> <chemical-formula>C23H38ClNO2</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">2016-05-19T03:18:37Z</created-at> <updated-at type="dateTime">2026-03-31T17:00:03Z</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>CCCCCCCCCCCCCCCCOC(=O)C1=CC(N)=C(Cl)C=C1</moldb-smiles> <moldb-formula>C23H38ClNO2</moldb-formula> <moldb-inchi>InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3</moldb-inchi> <moldb-inchikey>WZPMUDCUMKEHSE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">396.01</moldb-average-mass> <moldb-mono-mass type="decimal">395.2591072</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3597383</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>CHEM010212</chemdb-id> <dsstox-id>DTXSID30888979</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007006</stoff-ident-id> <susdat-id>NS00008623</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.32000000000001</moldb-polar-surface-area> <moldb-refractivity>116.67409999999997</moldb-refractivity> <moldb-polarizability>49.84997906427792</moldb-polarizability> <moldb-rotatable-bond-count>17</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>19.647743023417163</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.52349243762675</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>8.88</moldb-alogps-logp> <moldb-alogps-logs>-7.23</moldb-alogps-logs> <moldb-alogps-solubility>2.35e-05 g/l</moldb-alogps-solubility> </compound>