Molecule FYI-1008628

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Molecule Summary:

ID: FYI-1008628
Names:
InChIKey: WERABQRUGJIMKQ-UHFFFAOYSA-N
SMILES: Nc1nc(Cl)ccc1N(=O)=O

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

Molecule ID: FYI-1008628 Edit

Molecule Structure InChIKey: WERABQRUGJIMKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nc(Cl)ccc1N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008628
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    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
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  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
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008628-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -3.7754    0.0060   -0.0002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -1.4143    0.0001 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7254    0.7797   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933    1.0285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809   -0.2962    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6859    2.1618    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6606   -0.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0439    0.9462    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4566   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0662   -0.1441    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4128   -2.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.3073    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    2.2019    0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    3.0096   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$

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2024-06-03, 173👍, 0💬