Molecule FYI-1001513

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A

Molecule Summary:

ID: FYI-1001513
SMILES: C1=CN=CC=C1C(=O)NN

Received at FYIcenter.com on: 2022-08-18

Molecule ID: FYI-1001513 Edit

Molecule Structure SMILES String: C1=CN=CC=C1C(=O)NN

Download SDF Download SVG Structure in 2D SDF:

FYI-1001513
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001513-3D
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.6950    1.2660    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828    1.1223   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -0.0683   -0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5393   -1.1719   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8432   -1.1354    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    0.1107    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9728    0.1307    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057   -0.9271    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070    1.3681    0.0600 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0190    1.4188    0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052    2.2659    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    1.9910   -0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0764   -2.1165   -0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4106   -2.0612    0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    2.2299   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487    0.4423    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3081    1.7422    1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2022-10-01, 445👍, 0💬