Molecule FYI-1014310

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Molecule Summary:

ID: FYI-1014310
Names:
InChIKey: MTKKGHVQPVOXIL-UHFFFAOYSA-N
SMILES: NC1=NCc2ccccc12

Received at FYIcenter.com on: 2025-03-29

Molecule ID: FYI-1014310 Edit

Molecule Structure InChIKey: MTKKGHVQPVOXIL-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1=NCc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1014310
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0630    3.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266    1.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    1.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    2.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5463    3.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7663    2.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991    0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014310-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    2.1157   -0.8348    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512    1.5324    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512   -0.9086   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560    0.4142   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    0.3775   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5928   -1.2355    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365    1.4682   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214   -0.1902    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962    1.1511    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943   -2.3992    0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945   -2.3992   -0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220   -2.2686    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4107    2.5014   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -0.4146    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    1.9472    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188    2.4499    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653    1.5051    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2025-04-11, 989👍, 0💬