Molecule FYI-1008937

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Molecule Summary:

ID: FYI-1008937
Names:
InChIKey: AGZQPTBBDDQFKJ-UHFFFAOYSA-N
SMILES: CNc1ncccc1C#N

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

Molecule ID: FYI-1008937 Edit

Molecule Structure InChIKey: AGZQPTBBDDQFKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc1ncccc1C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008937
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008937-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -0.5457   -1.7813    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -0.6844    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    0.7707   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2038   -0.5775    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787    0.6283    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701    1.7998   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589    1.7307   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672   -3.0689   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110   -1.7265    0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    2.7741   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    2.6307   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907   -3.2113   -0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -3.8479   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6823   -3.2179    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253    0.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  3  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2024-06-03, 158👍, 0💬