Molecule FYI-1008397

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Molecule Summary:

ID: FYI-1008397
Names:
InChIKey: OSILBMSORKFRTB-UHFFFAOYSA-N
SMILES: Nc1nccc2ccccc12

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

Molecule ID: FYI-1008397 Edit

Molecule Structure InChIKey: OSILBMSORKFRTB-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nccc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008397
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   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
    1.2125    2.1000    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    0.0000    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
    3.6373    2.1000    0.0000 C   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
  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
  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
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008397-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    2.3599    0.0837   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036   -2.1778    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106   -0.4603    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306    0.9131    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421   -0.8065   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389   -1.4172    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084    1.8509    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3743   -1.0153   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946    0.3403   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158    1.3892   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8401   -2.4852   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9541    2.3531   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5099    2.9184    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1654   -1.7595   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352    0.6518   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485    2.0851   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -2.3685   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378   -2.8252    0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  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
 11 17  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1051👍, 0💬