
 CHEMBL269396

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    7.0496    0.6352   -9.1882 H   0  0  0  0  0
    6.0802    2.2655   -5.3317 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL269396

>  <PubChem CID>
13014683

>  <Formula>
C21H22ClN

>  <Molecular Weight>
323.864000

>  <IUPAC Name>
1-(3-chloro-11H-dibenzo[1,3-[7]annulen-6-yl)-4-methylpiperidine

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CCN(CC1)C2=CC3=C(CC4=CC=CC=C42)C=CC(=C3)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C2=CC3=C(CC4=CC=CC=C42)C=CC(=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H22ClN/c1-15-8-10-23(11-9-15)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3

>  <InChI Key>
AENACYRRZFSOSG-UHFFFAOYSA-N

