Molecule FYI-1008213

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A

Molecule Summary:

ID: FYI-1008213
Names:
InChIKey: STJGYRNNFVLOBF-UHFFFAOYSA-N
SMILES: Cn1nccc1C2CC2

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008213 Edit

Molecule Structure InChIKey: STJGYRNNFVLOBF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1C2CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008213
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    1.7184    4.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    3.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    3.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   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
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008213-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    0.9025    0.7010   -0.0371 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    0.2464    0.2307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -0.1208   -0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505    0.6889    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057   -0.8027    0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -0.2868   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714   -1.4696   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -1.0802    0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600    2.1238   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229   -0.0566   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1356    1.2938   -0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    1.1082    1.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687   -1.3720    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3956   -1.1991   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768   -2.4703   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8516   -1.7079    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3298    2.4374    0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870    2.6374   -0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    2.3436   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1104👍, 0💬