Molecule FYI-1008379

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A

Molecule Summary:

ID: FYI-1008379
Names:
InChIKey: VBWACOJLJYUFKJ-UHFFFAOYSA-N
SMILES: Nc1nc(Cl)cc(=O)[nH]1

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

Molecule ID: FYI-1008379 Edit

Molecule Structure InChIKey: VBWACOJLJYUFKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nc(Cl)cc(=O)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008379
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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  1  0  0  0  0
  6  4  2  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
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008379-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -3.0041    0.3674    0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7467    2.0310    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8124   -1.0159    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222   -0.2514   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -2.5497    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -1.2268   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978    0.2569    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920    1.3212   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    1.0671   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4786   -1.7791    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456    2.3447   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -3.2862    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -2.8299   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1337👍, 0💬