
 CHEMBL3289643

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    0.1683    0.1747    4.5990 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3289643

>  <PubChem CID>
90644059

>  <Formula>
C21H23ClN2O

>  <Molecular Weight>
354.878000

>  <IUPAC Name>
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCC2CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCC2CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN2O/c22-18-5-7-19(8-6-18)24-13-11-23(12-14-24)10-9-17-15-16-3-1-2-4-20(16)21(17)25/h1-8,17H,9-15H2

>  <InChI Key>
CPFAMVVFLCOFSK-UHFFFAOYSA-N

