Molecule FYI-1008945

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A

Molecule Summary:

ID: FYI-1008945
Names:
InChIKey: GJEPMYMUORZPMP-UHFFFAOYSA-N
SMILES: NCCc2nc1ccccc1[nH]2

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

Molecule ID: FYI-1008945 Edit

Molecule Structure InChIKey: GJEPMYMUORZPMP-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc2nc1ccccc1[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008945
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    7.9531    3.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    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
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   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  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  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008945-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
    0.3658    1.0712    0.3131 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3797   -1.1512    0.2824 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    0.0562   -0.4362 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -0.0689    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693   -0.0124    0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    0.6999    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9026   -0.6917    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3745    0.0315   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    1.4392   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -1.4046   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876    0.7136   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2843   -0.6830   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198    0.8616    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697   -0.8945    1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    2.0202    0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0953    0.9175   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320   -0.8413   -1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1079    2.5232   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1051   -2.4897   -0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2243    1.2477   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172   -1.2192   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834   -0.7631    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0497    0.8624    0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1912👍, 0💬