
 SCHEMBL6117311

 46 49  0  0  0  0  0  0  0  0999 V2000
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    4.7483   -0.1373   -0.6339 O   0  0  0  0  0
    5.2361    1.1418   -0.6734 C   0  0  0  0  0
    6.5882    1.4923   -0.6675 C   0  0  0  0  0
    6.9567    2.8519   -0.7359 C   0  0  0  0  0
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    4.6063    3.4992   -0.7553 C   0  0  0  0  0
    4.2644    2.1410   -0.7169 C   0  0  0  0  0
    6.6192    5.0670   -0.7702 N   0  0  0  0  0
    7.9902    4.8797   -0.9046 C   0  0  0  0  0
    8.2040    3.5137   -0.8020 C   0  0  0  0  0
    9.0215    5.9126   -1.0809 C   0  0  0  0  0
   10.2050    5.8361   -0.3269 C   0  0  0  0  0
   11.2559    6.7333   -0.5425 C   0  0  0  0  0
   11.1369    7.7316   -1.5067 C   0  0  0  0  0
    9.9711    7.8237   -2.2624 C   0  0  0  0  0
    8.9358    6.9110   -2.0597 C   0  0  0  0  0
    7.8603    6.9953   -2.8591 F   0  0  0  0  0
    5.9215    6.3420   -0.5892 C   0  0  0  0  0
    5.7039    6.7531    0.8560 C   0  0  0  0  0
    6.2280    6.0592    1.9567 C   0  0  0  0  0
    6.0171    6.5172    3.2607 C   0  0  0  0  0
    5.2844    7.6775    3.4904 C   0  0  0  0  0
    4.7519    8.3864    2.4122 C   0  0  0  0  0
    4.9604    7.9229    1.1030 C   0  0  0  0  0
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    3.8275    4.2536   -0.7853 H   0  0  0  0  0
    3.2132    1.8593   -0.7238 H   0  0  0  0  0
    9.1728    3.0313   -0.8265 H   0  0  0  0  0
   10.3264    5.0588    0.4243 H   0  0  0  0  0
   12.1727    6.6416    0.0366 H   0  0  0  0  0
   11.9558    8.4254   -1.6781 H   0  0  0  0  0
    9.8670    8.5877   -3.0272 H   0  0  0  0  0
    4.9568    6.2603   -1.1034 H   0  0  0  0  0
    6.4846    7.1286   -1.0900 H   0  0  0  0  0
    6.8112    5.1506    1.8250 H   0  0  0  0  0
    6.4332    5.9621    4.0997 H   0  0  0  0  0
    5.1355    8.0209    4.5113 H   0  0  0  0  0
    4.5453    8.4864    0.2680 H   0  0  0  0  0
    3.3662   10.8395    3.8598 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117311

>  <PubChem CID>
69670810

>  <Formula>
C23H18FNO3

>  <Molecular Weight>
375.399000

>  <IUPAC Name>
3-[[2-(2-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=C3F)CC4=CC=CC(=C4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3F)CC4=CC=CC(=C4)C(=O)O

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

>  <InChI Key>
LOSCONKFBKENAT-UHFFFAOYSA-N

