
 CHEMBL3335540

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.6342    1.1684   -0.3178 C   0  0  0  0  0
   -0.8650    1.1915    0.0076 C   0  0  0  0  0
   -1.5389    0.0540   -0.5411 O   0  0  0  0  0
   -0.9767   -1.1950   -0.1049 C   0  0  0  0  0
    0.5663   -1.2259   -0.2901 C   0  0  0  0  0
    1.3292   -0.0426    0.1578 N   0  0  0  0  0
    1.6130    0.0108    1.5947 C   0  0  0  0  0
    2.6069   -1.0381    2.0500 C   0  0  0  0  0
    3.9789   -0.8581    1.8139 C   0  0  0  0  0
    4.9048   -1.8135    2.2387 C   0  0  0  0  0
    4.4625   -2.9634    2.8880 C   0  0  0  0  0
    3.1035   -3.1637    3.1210 C   0  0  0  0  0
    2.1792   -2.2009    2.7082 C   0  0  0  0  0
    5.6013   -4.1444    3.4070 Cl  0  0  0  0  0
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   -2.9771   -1.7204    1.3792 C   0  0  0  0  0
   -3.4165   -2.0152    2.7940 C   0  0  0  0  0
   -3.7268   -0.9664    3.6707 C   0  0  0  0  0
   -4.0949   -1.2325    4.9903 C   0  0  0  0  0
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    2.7579   -4.0639    3.6226 H   0  0  0  0  0
    1.1225   -2.3673    2.9017 H   0  0  0  0  0
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   -3.8870   -4.6237    4.9403 H   0  0  0  0  0
   -3.2300   -4.1633    2.6040 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
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  4 15  1  0  0  0
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  7  8  1  0  0  0
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  7 31  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3335540

>  <PubChem CID>
72737767

>  <Formula>
C19H22ClNO

>  <Molecular Weight>
315.841000

>  <IUPAC Name>
4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1COC(CN1CC2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

>  <Isomeric SMILES>
C1COC(CN1CC2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2

>  <InChI Key>
CVKXGRRJHJHUFY-UHFFFAOYSA-N

