
 CHEMBL443334

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.7520    7.2936   -1.0788 C   0  0  0  0  0
    1.9518    7.2706   -0.3161 O   0  0  0  0  0
    2.7707    6.1882   -0.4835 C   0  0  0  0  0
    3.9594    6.2351    0.2460 C   0  0  0  0  0
    4.8902    5.1961    0.1623 C   0  0  0  0  0
    4.6499    4.0901   -0.6640 C   0  0  0  0  0
    3.4482    4.0420   -1.3829 C   0  0  0  0  0
    2.5158    5.0832   -1.2945 C   0  0  0  0  0
    5.6652    2.9754   -0.7646 C   0  0  0  0  0
    5.5062    1.9822    0.2710 N   0  0  0  0  0
    4.7495    0.7982    0.1697 C   0  0  0  0  0
    4.7863    0.0838    1.3653 C   0  0  0  0  0
    4.1407   -1.1268    1.5518 C   0  0  0  0  0
    3.4218   -1.6416    0.4728 C   0  0  0  0  0
    3.3735   -0.9425   -0.7472 C   0  0  0  0  0
    4.0397    0.2774   -0.8967 C   0  0  0  0  0
    3.9898    0.9020   -2.0789 F   0  0  0  0  0
    5.6184    0.8360    2.3013 C   0  0  0  0  0
    5.8984    0.5239    3.4349 O   0  0  0  0  0
    6.0795    2.0960    1.5286 C   0  0  0  0  0
    6.8043    2.9608    1.9732 O   0  0  0  0  0
    0.2215    8.2206   -0.8405 H   0  0  0  0  0
    0.0975    6.4579   -0.8104 H   0  0  0  0  0
    0.9666    7.2993   -2.1527 H   0  0  0  0  0
    4.1662    7.0904    0.8850 H   0  0  0  0  0
    5.8078    5.2612    0.7457 H   0  0  0  0  0
    3.2270    3.1965   -2.0297 H   0  0  0  0  0
    1.6031    4.9992   -1.8745 H   0  0  0  0  0
    6.6695    3.4089   -0.6723 H   0  0  0  0  0
    5.6366    2.5069   -1.7535 H   0  0  0  0  0
    4.1984   -1.6528    2.5008 H   0  0  0  0  0
    2.8994   -2.5917    0.5716 H   0  0  0  0  0
    2.8192   -1.3520   -1.5878 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL443334

>  <PubChem CID>
44157162

>  <Formula>
C16H12FNO3

>  <Molecular Weight>
285.274000

>  <IUPAC Name>
7-fluoro-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)CN2C3=C(C=CC=C3F)C(=O)C2=O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CN2C3=C(C=CC=C3F)C(=O)C2=O

>  <InChI Std. ID>
InChI=1S/C16H12FNO3/c1-21-11-7-5-10(6-8-11)9-18-14-12(15(19)16(18)20)3-2-4-13(14)17/h2-8H,9H2,1H3

>  <InChI Key>
AUMJQXBQXUTIQR-UHFFFAOYSA-N

