
 SCHEMBL6117584

 46 49  0  0  0  0  0  0  0  0999 V2000
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    2.8481    0.1012    0.5331 O   0  0  0  0  0
    3.5972    1.2460    0.4599 C   0  0  0  0  0
    2.8833    2.4394    0.5554 C   0  0  0  0  0
    3.5071    3.6866    0.4975 C   0  0  0  0  0
    4.8995    3.7169    0.3102 C   0  0  0  0  0
    5.6397    2.5447    0.2042 C   0  0  0  0  0
    4.9870    1.2934    0.2916 C   0  0  0  0  0
    6.9889    2.9263    0.0109 C   0  0  0  0  0
    7.0760    4.3102   -0.0267 C   0  0  0  0  0
    5.7851    4.7839    0.1795 N   0  0  0  0  0
    5.3648    6.1810    0.3214 C   0  0  0  0  0
    4.4124    6.6491   -0.7635 C   0  0  0  0  0
    4.4094    6.1137   -2.0619 C   0  0  0  0  0
    3.4783    6.5397   -3.0119 C   0  0  0  0  0
    2.5536    7.5315   -2.6925 C   0  0  0  0  0
    2.5657    8.1096   -1.4198 C   0  0  0  0  0
    3.4917    7.6688   -0.4626 C   0  0  0  0  0
    1.6142    9.1827   -1.0361 C   0  0  0  0  0
    1.4970    9.6604    0.0765 O   0  0  0  0  0
    0.8769    9.6221   -2.0708 O   0  0  0  0  0
    8.2998    5.1092   -0.2154 C   0  0  0  0  0
    9.4886    4.7089    0.4171 C   0  0  0  0  0
   10.6841    5.4069    0.2195 C   0  0  0  0  0
   10.7065    6.5245   -0.6114 C   0  0  0  0  0
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    5.5878    0.3961    0.2111 H   0  0  0  0  0
    7.8250    2.2502   -0.1131 H   0  0  0  0  0
    6.2395    6.8327    0.3631 H   0  0  0  0  0
    4.8763    6.2396    1.3025 H   0  0  0  0  0
    5.1111    5.3296   -2.3444 H   0  0  0  0  0
    3.4685    6.0872   -4.0003 H   0  0  0  0  0
    1.8286    7.8457   -3.4403 H   0  0  0  0  0
    3.4819    8.1173    0.5305 H   0  0  0  0  0
    0.3227   10.3287   -1.6802 H   0  0  0  0  0
    9.4972    3.8405    1.0715 H   0  0  0  0  0
   11.5946    5.0720    0.7074 H   0  0  0  0  0
   11.6338    7.0690   -0.7655 H   0  0  0  0  0
    9.5566    7.7967   -1.9085 H   0  0  0  0  0
    7.4699    6.5360   -1.6223 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
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  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117584

>  <PubChem CID>
69670884

>  <Formula>
C23H18FNO3

>  <Molecular Weight>
375.399000

>  <IUPAC Name>
3-[(6-fluoro-5-methoxy-2-phenylindol-1-yl)methyl]benzoic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)F

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)F

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

>  <InChI Key>
KOCMVEOJQIRNMR-UHFFFAOYSA-N

