Molecule FYI-1008927

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A

Molecule Summary:

ID: FYI-1008927
Names:
InChIKey: OFTDZLLFZKPIIT-UHFFFAOYSA-N
SMILES: Nc2ccnc(Oc1ccccc1)c2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008927 Edit

Molecule Structure InChIKey: OFTDZLLFZKPIIT-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccnc(Oc1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008927
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 14  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008927-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
   -0.2082   -1.2477   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654    0.9022   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595   -0.6843    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -0.6574   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036   -0.4220   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540   -0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539   -1.0030   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0631   -0.3547   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0629   -0.3548    1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3199    0.2501   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197    0.2501    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483    0.5526    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    1.6971   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718   -2.0815   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803   -0.5884   -2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799   -0.5886    2.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8967    1.9167    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095    0.4855   -2.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8090    0.4854    2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9270    1.0235    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545    2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.0644   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982   -1.6861   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 157👍, 0💬