19260 <common-name>1-(3-Chlorophenyl)piperazine</common-name> <description nil="true"/> <cas>6640-24-0</cas> <pubchem-id>1355</pubchem-id> <chemical-formula>C10H13ClN2</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">2016-05-22T05:02:03Z</created-at> <updated-at type="dateTime">2026-05-14T19:17:23Z</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>DB12110</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>ClC1=CC(=CC=C1)N1CCNCC1</moldb-smiles> <moldb-formula>C10H13ClN2</moldb-formula> <moldb-inchi>InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2</moldb-inchi> <moldb-inchikey>VHFVKMTVMIZMIK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">196.677</moldb-average-mass> <moldb-mono-mass type="decimal">196.076726133</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.15</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>1314</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>CHEM018155</chemdb-id> <dsstox-id>DTXSID9045138</dsstox-id> <toxcast-id>45138</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000404</susdat-id> <iupac>1-(3-chlorophenyl)piperazine</iupac> <moldb-polar-surface-area>15.27</moldb-polar-surface-area> <moldb-refractivity>56.046800000000005</moldb-refractivity> <moldb-polarizability>20.87429387485703</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 nil="true"/> <moldb-pka-strongest-basic>8.870108750816806</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.07</moldb-alogps-logp> <moldb-alogps-logs>-1.80</moldb-alogps-logs> <moldb-alogps-solubility>3.12e+00 g/l</moldb-alogps-solubility> </compound>