Molecule FYI-1008908

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A

Molecule Summary:

ID: FYI-1008908
Names:
InChIKey: ZQZJULZPQACTES-UHFFFAOYSA-N
SMILES: c2cncc(c1ncc[nH]1)c2

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

Molecule ID: FYI-1008908 Edit

Molecule Structure InChIKey: ZQZJULZPQACTES-UHFFFAOYSA-N

Molecule Structure SMILES String: c2cncc(c1ncc[nH]1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008908
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    4.9163    2.2305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
  5  1  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008908-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -1.7939    1.0269    0.3600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -1.0706   -0.3694 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -1.1759    0.2328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -0.0455   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -0.0026   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906    1.1883   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -1.1469    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054    0.6625    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0705   -0.6357   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811    1.1987   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1365    0.0008    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594    1.9255    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684    2.1214   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878   -2.1099    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9141    1.3369    0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9098   -1.2795   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    2.1146   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2204   -0.0449    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1298👍, 0💬