Molecule FYI-1006248

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A

Molecule Summary:

ID: FYI-1006248
Names:
InChIKey: FZKCAHQKNJXICB-UHFFFAOYSA-N
SMILES: c2ccc1nocc1c2

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006248 Edit

Molecule Structure InChIKey: FZKCAHQKNJXICB-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1nocc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006248
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.6905    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
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
  9  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006248-3D
FYIcenter.com

 14 15  0     0  0  0  0  0  0999 V2000
   -2.3328    0.0414    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751   -1.1217    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960   -1.5030   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5203    1.1306   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720    0.7127    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0706   -0.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    2.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -2.5847   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0136    2.0915   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0362    1.2204    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0328   -1.2299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  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
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2023-12-14, 308👍, 0💬