
 SCHEMBL6117635

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    4.6880    1.5451    1.4169 C   0  0  0  0  0
    6.4784    4.5605    0.0717 N   0  0  0  0  0
    7.6677    4.4398   -0.6400 C   0  0  0  0  0
    7.9080    3.0777   -0.7561 C   0  0  0  0  0
    8.5103    5.5232   -1.1759 C   0  0  0  0  0
    9.0928    5.3833   -2.4461 C   0  0  0  0  0
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    5.7512    5.8008    0.3606 C   0  0  0  0  0
    6.1160    6.4380    1.6840 C   0  0  0  0  0
    6.5872    5.7162    2.7935 C   0  0  0  0  0
    6.9182    6.3663    3.9845 C   0  0  0  0  0
    6.7845    7.7486    4.0868 C   0  0  0  0  0
    6.3092    8.4883    2.9957 C   0  0  0  0  0
    5.9544    7.8271    1.8178 C   0  0  0  0  0
    5.4405    8.5060    0.7813 F   0  0  0  0  0
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    8.7597    2.6399   -1.2603 H   0  0  0  0  0
    8.8821    4.5059   -3.0528 H   0  0  0  0  0
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    7.0571    8.2486    5.0145 H   0  0  0  0  0
    6.2778   11.5595    2.2329 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117635

>  <PubChem CID>
69670904

>  <Formula>
C23H18FNO3

>  <Molecular Weight>
375.399000

>  <IUPAC Name>
2-fluoro-3-[(5-methoxy-2-phenylindol-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)CC4=CC=CC(=C4F)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC4=CC=CC(=C4F)C(=O)O

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

>  <InChI Key>
ONHMWDRBNCMSPT-UHFFFAOYSA-N

