
 CHEMBL3289383

 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3289383

>  <PubChem CID>
90644067

>  <Formula>
C19H22ClFN2OS

>  <Molecular Weight>
380.906000

>  <IUPAC Name>
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCS(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCS(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H22ClFN2OS/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-25(24)19-8-4-17(21)5-9-19/h2-9H,1,10-15H2

>  <InChI Key>
FIIJQHSUFMYWQS-UHFFFAOYSA-N

