Molecule FYI-1008669

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A

Molecule Summary:

ID: FYI-1008669
Names:
InChIKey: FXEXMJJMSRWMTI-UHFFFAOYSA-N
SMILES: CCOc1ncccc1C(N)=O

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

Molecule ID: FYI-1008669 Edit

Molecule Structure InChIKey: FXEXMJJMSRWMTI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1ncccc1C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008669
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008669-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    1.4857   -0.3147   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272   -2.4165    0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541    1.7539   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612   -2.2696   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976   -0.2505   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3213    0.4086   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    0.4275   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544    0.5209    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    1.9081    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -0.5363    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -1.7021   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922    2.4706    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608    1.0508   -0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    1.0634    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576    0.1126    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8254   -1.1810    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323   -1.1942   -0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8187    0.0018    0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461    2.5304    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    3.5479    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -1.7647   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532   -3.2807    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  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  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1328👍, 0💬