
 CHEMBL3819366

 43 44  0  0  0  0  0  0  0  0999 V2000
   -0.8657    1.5978   -0.0554 C   0  0  0  0  0
   -1.9504    0.6888   -0.6342 C   0  0  0  0  0
   -1.8176   -0.6700   -0.0867 N   0  0  0  0  0
   -0.5645   -1.3041   -0.5720 C   0  0  0  0  0
    0.6398   -0.3868   -0.5039 C   0  0  0  0  0
    1.9229   -0.9207   -0.7037 C   0  0  0  0  0
    3.0517   -0.1036   -0.5977 C   0  0  0  0  0
    2.9094    1.2512   -0.2909 C   0  0  0  0  0
    1.6376    1.7969   -0.1022 C   0  0  0  0  0
    0.4966    0.9883   -0.2221 C   0  0  0  0  0
   -3.0111   -1.4670   -0.4559 C   0  0  0  0  0
   -3.0384   -2.8750    0.1641 C   0  0  0  0  0
   -3.0543   -2.8621    1.6935 C   0  0  0  0  0
   -3.1361   -4.1683    2.1376 O   0  0  0  0  0
   -3.2041   -4.5717    3.4332 C   0  0  0  0  0
   -3.2895   -5.9452    3.6981 C   0  0  0  0  0
   -3.3645   -6.4110    5.0140 C   0  0  0  0  0
   -3.3546   -5.5065    6.0781 C   0  0  0  0  0
   -3.2699   -4.1339    5.8276 C   0  0  0  0  0
   -3.1945   -3.6616    4.5116 C   0  0  0  0  0
   -3.4275   -5.9607    7.3541 F   0  0  0  0  0
    1.0283   -0.1874    3.1230 Cl  0  0  0  0  0
   -1.0316    1.8008    1.0242 H   0  0  0  0  0
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    3.7858    1.8808   -0.2053 H   0  0  0  0  0
    1.5379    2.8518    0.1222 H   0  0  0  0  0
   -3.0758   -1.5675   -1.5634 H   0  0  0  0  0
   -3.9307   -0.9406   -0.1140 H   0  0  0  0  0
   -2.1785   -3.4771   -0.1968 H   0  0  0  0  0
   -3.9637   -3.3816   -0.1879 H   0  0  0  0  0
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   -2.1258   -2.3875    2.0802 H   0  0  0  0  0
   -3.2989   -6.6534    2.8794 H   0  0  0  0  0
   -3.4304   -7.4742    5.2064 H   0  0  0  0  0
   -3.2629   -3.4339    6.6533 H   0  0  0  0  0
   -3.1305   -2.5961    4.3417 H   0  0  0  0  0
    0.8572   -1.3560    2.4183 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
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 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3819366

>  <PubChem CID>
127052758

>  <Formula>
C18H21ClFNO

>  <Molecular Weight>
321.820000

>  <IUPAC Name>
2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CC2=CC=CC=C21)CCCOC3=CC=C(C=C3)F.Cl

>  <Isomeric SMILES>
C1CN(CC2=CC=CC=C21)CCCOC3=CC=C(C=C3)F.Cl

>  <InChI Std. ID>
InChI=1S/C18H20FNO.ClH/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20;/h1-2,4-9H,3,10-14H2;1H

>  <InChI Key>
IGFGCXFWCJJKGG-UHFFFAOYSA-N

