18889 <common-name>N-(3-Chloro-4-methylphenyl)acetamide</common-name> <description nil="true"/> <cas>7149-79-3</cas> <pubchem-id>23537</pubchem-id> <chemical-formula>C9H10ClNO</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">2016-05-22T04:38:25Z</created-at> <updated-at type="dateTime">2026-04-04T12:55:27Z</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>CC(O)=NC1=CC(Cl)=C(C)C=C1</moldb-smiles> <moldb-formula>C9H10ClNO</moldb-formula> <moldb-inchi>InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>IGLVCWPPISIXPR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">183.64</moldb-average-mass> <moldb-mono-mass type="decimal">183.0450916</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>22007</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>CHEM017784</chemdb-id> <dsstox-id>DTXSID8042181</dsstox-id> <toxcast-id>42181</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037224</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>32.59</moldb-polar-surface-area> <moldb-refractivity>51.5221</moldb-refractivity> <moldb-polarizability>18.900853483055037</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>5.13176828405764</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.2062327993903128</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.81</moldb-alogps-logp> <moldb-alogps-logs>-3.21</moldb-alogps-logs> <moldb-alogps-solubility>1.13e-01 g/l</moldb-alogps-solubility> </compound>