
 SCHEMBL6118186

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    5.6904    4.6228    0.2089 N   0  0  0  0  0
    6.9593    4.0975   -0.0115 C   0  0  0  0  0
    6.8092    2.7174    0.0207 C   0  0  0  0  0
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    4.4922    6.1209   -2.0237 C   0  0  0  0  0
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    1.0184   10.8579   -1.7319 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6118186

>  <PubChem CID>
69671009

>  <Formula>
C23H18FNO3

>  <Molecular Weight>
375.399000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC(=CC=C3)F)CC4=CC=CC(=C4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC(=CC=C3)F)CC4=CC=CC(=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H18FNO3/c1-28-20-8-9-21-18(12-20)13-22(16-5-3-7-19(24)11-16)25(21)14-15-4-2-6-17(10-15)23(26)27/h2-13H,14H2,1H3,(H,26,27)

>  <InChI Key>
DONQECWETAUZLS-UHFFFAOYSA-N

