<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293366</id>
  <title nil="true"/>
  <common-name>1-(4-chlorophenyl)-3-heptylurea</common-name>
  <description>1-(4-chlorophenyl)-3-heptylurea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C14H21ClN2O and an average molecular weight of 268.78 g/mol.</description>
  <cas>303092-05-9</cas>
  <pubchem-id>5161985</pubchem-id>
  <chemical-formula>C14H21ClN2O</chemical-formula>
  <weight>268.78</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">2026-08-28T08:43:12Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:43:12Z</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>CCCCCCCNC(=O)NC1=CC=C(C=C1)Cl</moldb-smiles>
  <moldb-formula>C14H21ClN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21ClN2O/c1-2-3-4-5-6-11-16-14(18)17-13-9-7-12(15)8-10-13/h7-10H,2-6,11H2,1H3,(H2,16,17,18)</moldb-inchi>
  <moldb-inchikey>LXNNKGZQQRGXAO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">268.134241</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</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>CHEM289259</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>1-(4-chlorophenyl)-3-heptylurea</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244887</sync-id>
  <structure-inchikey>LXNNKGZQQRGXAO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000104000080000000000000000002000080000000000000000000000000004000000000000000000000000000000000400000018000000000000020001000000000000000000000000000000020010080000010000000000000000000000000000000000000000000000000000040020400000000000000010080000000000000000000000000000000000000000000000000000000080000000000000008000000000000000000000000000000000000000000000000000000000010000000000000000200000000000000008000000000000048000000010400000000000000000600000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������h��������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h�������� ���������������������������� �	(��
 
� ��h��h��h���h���h������h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:18Z</structure-indexed-at>
</compound>
