19261 <common-name>Fenclonine</common-name> <description nil="true"/> <cas>7424-00-2</cas> <pubchem-id>4652</pubchem-id> <chemical-formula>C9H10ClNO2</chemical-formula> <weight>199.63</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">2016-05-22T05:02:04Z</created-at> <updated-at type="dateTime">2026-08-25T07:04:48Z</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>NC(CC1=CC=C(Cl)C=C1)C(O)=O</moldb-smiles> <moldb-formula>C9H10ClNO2</moldb-formula> <moldb-inchi>InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)</moldb-inchi> <moldb-inchikey>NIGWMJHCCYYCSF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">199.63</moldb-average-mass> <moldb-mono-mass type="decimal">199.0400063</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.5</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>CHEM018156</chemdb-id> <dsstox-id>DTXSID4045139</dsstox-id> <toxcast-id>45139</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00081601</susdat-id> <iupac>2-amino-3-(4-chlorophenyl)propanoic acid</iupac> <moldb-polar-surface-area>63.31999999999999</moldb-polar-surface-area> <moldb-refractivity>49.9211</moldb-refractivity> <moldb-polarizability>19.535655362078252</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>1.8527506345416747</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.437909375498478</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.92</moldb-alogps-logp> <moldb-alogps-logs>-2.09</moldb-alogps-logs> <moldb-alogps-solubility>1.61e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0019261</sync-id> </compound>