Molecule FYI-1008762

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A

Molecule Summary:

ID: FYI-1008762
Names:
InChIKey: QWGWTCVCNBZBHK-UHFFFAOYSA-N
SMILES: COc1cc(N)ncc1I

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

Molecule ID: FYI-1008762 Edit

Molecule Structure InChIKey: QWGWTCVCNBZBHK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(N)ncc1I

Download SDF Download SVG Structure in 2D SDF:

FYI-1008762
FYIcenter.com

 10 10  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 O   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 C   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 N   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
    4.8497    0.0000    0.0000 I   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  5  2  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
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008762-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.6134    1.9785    0.0001 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530   -1.1867   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    1.2256    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9836   -0.7374   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593   -0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -0.9607    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7059   -0.1244    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7749    1.0119   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914    1.7599   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148   -2.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -2.0292   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773    2.8459   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4941   -3.0831    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010   -2.9173    0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -2.9175   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -1.6526    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7874   -0.1216    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1459👍, 0💬