
 SCHEMBL6118477

 43 46  0  0  0  0  0  0  0  0999 V2000
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    3.0140    0.1394   -0.0625 O   0  0  0  0  0
    3.7570    1.2900   -0.0486 C   0  0  0  0  0
    5.1532    1.3561   -0.0172 C   0  0  0  0  0
    5.7921    2.6153   -0.0205 C   0  0  0  0  0
    5.0226    3.7748   -0.0241 C   0  0  0  0  0
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    3.0081    2.4657   -0.0556 C   0  0  0  0  0
    5.9019    4.8525    0.0040 N   0  0  0  0  0
    7.2177    4.4062   -0.0704 C   0  0  0  0  0
    7.1493    3.0202   -0.0305 C   0  0  0  0  0
    8.4361    5.2335   -0.1473 C   0  0  0  0  0
    9.5940    4.8323    0.5342 C   0  0  0  0  0
   10.7715    5.5683    0.4209 C   0  0  0  0  0
   10.8292    6.7195   -0.3515 C   0  0  0  0  0
    9.6938    7.1300   -1.0401 C   0  0  0  0  0
    8.5147    6.3799   -0.9520 C   0  0  0  0  0
   11.8717    5.1520    1.0615 F   0  0  0  0  0
    5.4556    6.2317    0.2043 C   0  0  0  0  0
    5.1214    6.9098   -1.0768 C   0  0  0  0  0
    4.7130    6.4889   -2.3267 C   0  0  0  0  0
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    8.0026    2.3545   -0.0458 H   0  0  0  0  0
    9.6026    3.9396    1.1526 H   0  0  0  0  0
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    7.6723    6.6993   -1.5552 H   0  0  0  0  0
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    4.5792    6.2106    0.8614 H   0  0  0  0  0
    4.5305    5.4659   -2.6302 H   0  0  0  0  0
    4.3415    7.7084   -4.1754 H   0  0  0  0  0
    5.4551   11.7755   -1.9040 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6118477

>  <PubChem CID>
50907866

>  <Formula>
C21H16FNO4

>  <Molecular Weight>
365.360000

>  <IUPAC Name>
5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC(=CC=C3)F)CC4=CC=C(O4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC(=CC=C3)F)CC4=CC=C(O4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H16FNO4/c1-26-16-5-7-18-14(10-16)11-19(13-3-2-4-15(22)9-13)23(18)12-17-6-8-20(27-17)21(24)25/h2-11H,12H2,1H3,(H,24,25)

>  <InChI Key>
QKUJAACEYCIDRJ-UHFFFAOYSA-N

