Molecule FYI-1008564

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A

Molecule Summary:

ID: FYI-1008564
Names:
InChIKey: PJKKQFAEFWCNAQ-UHFFFAOYSA-N
SMILES: CNc1cc[nH]c(=O)n1

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

Molecule ID: FYI-1008564 Edit

Molecule Structure InChIKey: PJKKQFAEFWCNAQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc1cc[nH]c(=O)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008564
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   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
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008564-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.9364    1.7956    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2400   -0.2709    0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859    0.7495    0.0064 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435   -0.4908   -0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766   -0.3819    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2639   -1.5763   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286    0.9912   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070    0.7366    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -1.5531   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -1.1266    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5467    1.6534    0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810   -2.5265   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6932    1.5923    0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0096    0.8185   -0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836    1.5601   -0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946   -2.5417   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1523👍, 0💬