Molecule FYI-1008835

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A

Molecule Summary:

ID: FYI-1008835
Names:
InChIKey: HUDSSSKDWYXKGP-UHFFFAOYSA-N
SMILES: c2ccc(Nc1ccccn1)cc2

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

Molecule ID: FYI-1008835 Edit

Molecule Structure InChIKey: HUDSSSKDWYXKGP-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(Nc1ccccn1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008835
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 N   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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
    6.0622    2.8000    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008835-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
    0.0206   -0.9934   -0.2210 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4827    0.8736   -0.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737   -0.4494   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -0.4298   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3933   -1.2663   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4343    0.9049    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3371   -1.2536    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6733   -0.7290   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145    1.4421    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    0.6252    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132   -0.7116    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8254    0.6221    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    1.3653   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   -1.9882   -0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830   -2.3233   -0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6031    1.5803    0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1662   -2.2939    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5451   -1.3651   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8404    2.4951    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8308    1.0431    0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4410   -1.3272    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    1.0657    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    2.4102   -0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2024-04-29, 120👍, 0💬