Molecule FYI-1014001

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Molecule Summary:

ID: FYI-1014001
Names:
InChIKey: AFDMODCXODAXLC-UHFFFAOYSA-N
SMILES: N=Cc1ccccc1

Received at FYIcenter.com on: 2025-02-15

Molecule ID: FYI-1014001 Edit

Molecule Structure InChIKey: AFDMODCXODAXLC-UHFFFAOYSA-N

Molecule Structure SMILES String: N=Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014001
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014001-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
    2.8951   -0.3980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558    0.2474    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617    1.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045   -1.0725    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816   -0.2907   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    0.5281   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0252    2.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -1.9106    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    1.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6162   -2.3690   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472   -0.5002   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028    1.5842   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8217    0.0431   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

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2025-03-12, 804👍, 0💬