Molecule FYI-1005783

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Molecule Summary:

ID: FYI-1005783
Names:
InChIKey: YCWRFIYBUQBHJI-UHFFFAOYSA-N
SMILES: N#CCc1ccc(N)cc1

Received at FYIcenter.com on: 2023-11-14

Molecule ID: FYI-1005783 Edit

Molecule Structure InChIKey: YCWRFIYBUQBHJI-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CCc1ccc(N)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005783
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  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
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005783-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -3.5062    0.0003    0.6003 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5395    0.0007    1.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331   -0.0002   -0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.2081   -0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376    1.2079   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1498    0.0000    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -0.0005   -0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -1.2080    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792    1.2079    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    0.0000    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737   -2.1564   -0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3735    2.1560   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819    0.8735   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1818   -0.8750   -1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -2.1559    0.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907    2.1558    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9932    0.8760    0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934   -0.8751    0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  3  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

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2023-11-23, 2455👍, 0💬