9267 <common-name>Atrazine-desethyl</common-name> <description nil="true"/> <cas>6190-65-4</cas> <pubchem-id>22563</pubchem-id> <chemical-formula>C6H10ClN5</chemical-formula> <weight>187.63</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">2016-05-19T02:39:47Z</created-at> <updated-at type="dateTime">2026-08-23T03:33:29Z</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 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(C)NC1=NC(N)=NC(Cl)=N1</moldb-smiles> <moldb-formula>C6H10ClN5</moldb-formula> <moldb-inchi>InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)</moldb-inchi> <moldb-inchikey>DFWFIQKMSFGDCQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">187.63</moldb-average-mass> <moldb-mono-mass type="decimal">187.062473052</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21157</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>CHEM008162</chemdb-id> <dsstox-id>DTXSID5037494</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008490</susdat-id> <iupac>6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine</iupac> <moldb-polar-surface-area>76.72</moldb-polar-surface-area> <moldb-refractivity>51.973800000000004</moldb-refractivity> <moldb-polarizability>18.294466691739903</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>14.584420013962507</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.3788663987639214</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.50</moldb-alogps-logp> <moldb-alogps-logs>-2.76</moldb-alogps-logs> <moldb-alogps-solubility>3.25e-01 g/l</moldb-alogps-solubility> </compound>