Molecule FYI-1002072

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A

Molecule Summary:

ID: FYI-1002072
Names:
InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
SMILES: Nc1cc[nH]c(=O)n1

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002072 Edit

Molecule Structure InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc[nH]c(=O)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002072
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   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 C   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 N   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
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  8  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002072-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    2.2134    1.1188    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0595    0.9816    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422    0.9214    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -0.9744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406    0.2676   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.0726   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    0.4056   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -1.6478    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    1.9946    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223   -1.7317   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351   -2.7487    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089    0.3984    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4533    1.9332    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

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2023-01-25, 730👍, 0💬