
 CHEMBL3793062

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.9005    1.1748   -0.2559 C   0  0  0  0  0
   -0.5973    1.4354   -0.0507 C   0  0  0  0  0
   -1.3913    0.4388   -0.7008 O   0  0  0  0  0
   -1.0905   -0.8947   -0.2448 C   0  0  0  0  0
    0.4297   -1.1866   -0.2932 C   0  0  0  0  0
    1.3435   -0.1466    0.2283 N   0  0  0  0  0
    1.5554   -0.1579    1.6783 C   0  0  0  0  0
    2.0924   -1.4737    2.1986 C   0  0  0  0  0
    3.3015   -1.9948    1.7050 C   0  0  0  0  0
    3.7603   -3.2288    2.1531 C   0  0  0  0  0
    3.0356   -3.9502    3.0942 C   0  0  0  0  0
    1.8448   -3.4429    3.6046 C   0  0  0  0  0
    1.3759   -2.2062    3.1603 C   0  0  0  0  0
    3.4758   -5.1424    3.5160 F   0  0  0  0  0
    4.9058   -3.7235    1.6600 F   0  0  0  0  0
   -1.7789   -1.1768    1.0986 C   0  0  0  0  0
   -1.6978   -2.5700    1.4112 O   0  0  0  0  0
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    0.6509    0.1237    2.2266 H   0  0  0  0  0
    2.3044    0.6042    1.9374 H   0  0  0  0  0
    3.8705   -1.4559    0.9548 H   0  0  0  0  0
    1.2842   -4.0192    4.3346 H   0  0  0  0  0
    0.4338   -1.8285    3.5546 H   0  0  0  0  0
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   -4.6390   -2.1695    4.9320 H   0  0  0  0  0
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   -4.0496   -6.0095    3.0990 H   0  0  0  0  0
   -2.4028   -5.0116    1.5391 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
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  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
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  5 30  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
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  9 10  1  0  0  0
  9 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3793062

>  <PubChem CID>
127053220

>  <Formula>
C18H19F2NO2

>  <Molecular Weight>
319.352000

>  <IUPAC Name>
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(phenoxymethyl)morpholine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC(CN1CC2=CC(=C(C=C2)F)F)COC3=CC=CC=C3

>  <Isomeric SMILES>
C1CO[C@@H](CN1CC2=CC(=C(C=C2)F)F)COC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H19F2NO2/c19-17-7-6-14(10-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1

>  <InChI Key>
ANMMMOJAOFRKQC-INIZCTEOSA-N

