21343 <common-name>Chlorphenesin</common-name> <description nil="true"/> <cas>104-29-0</cas> <pubchem-id>7697</pubchem-id> <chemical-formula>C9H11ClO3</chemical-formula> <weight>202.63</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">2016-05-22T06:56:56Z</created-at> <updated-at type="dateTime">2026-08-25T08:38:29Z</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>DB00856</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>OCC(O)COC1=CC=C(Cl)C=C1</moldb-smiles> <moldb-formula>C9H11ClO3</moldb-formula> <moldb-inchi>InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2</moldb-inchi> <moldb-inchikey>MXOAEAUPQDYUQM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">202.635</moldb-average-mass> <moldb-mono-mass type="decimal">202.039671925</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>7411</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>CHEM020238</chemdb-id> <dsstox-id>DTXSID0049028</dsstox-id> <toxcast-id>49028</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008320</susdat-id> <iupac>3-(4-chlorophenoxy)propane-1,2-diol</iupac> <moldb-polar-surface-area>49.69</moldb-polar-surface-area> <moldb-refractivity>49.58080000000002</moldb-refractivity> <moldb-polarizability>20.104499702005157</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>13.624307810791905</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9686164080737774</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.46</moldb-alogps-logp> <moldb-alogps-logs>-1.29</moldb-alogps-logs> <moldb-alogps-solubility>1.04e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id nil="true"/> </compound>