
 CHEMBL1940408

 48 50  0  0  0  0  0  0  0  0999 V2000
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    0.1967   -1.2550   -0.3902 C   0  0  0  0  0
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    0.0584    1.3583    2.3938 C   0  0  0  0  0
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   -2.5620    3.0458    7.5085 C   0  0  0  0  0
   -2.0565    3.0304    6.2067 C   0  0  0  0  0
   -2.2334    2.6696    9.8125 F   0  0  0  0  0
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   -2.3662    0.3224   -3.9125 C   0  0  0  0  0
   -1.2159   -0.5398   -7.6398 Cl  0  0  0  0  0
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   -2.7890    1.0758   -5.8866 H   0  0  0  0  0
   -3.0738    1.0174   -3.4673 H   0  0  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1940408

>  <PubChem CID>
57401819

>  <Formula>
C20H24ClFN2

>  <Molecular Weight>
346.874000

>  <IUPAC Name>
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCCCC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H24ClFN2/c21-18-6-10-20(11-7-18)24-15-13-23(14-16-24)12-2-1-3-17-4-8-19(22)9-5-17/h4-11H,1-3,12-16H2

>  <InChI Key>
ARWONURFSGKTJW-UHFFFAOYSA-N

