Molecule FYI-1008857

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A

Molecule Summary:

ID: FYI-1008857
Names:
InChIKey: DHYLZDVDOQLEAQ-UHFFFAOYSA-N
SMILES: COc1nccc(N)n1

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

Molecule ID: FYI-1008857 Edit

Molecule Structure InChIKey: DHYLZDVDOQLEAQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1nccc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008857
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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 N   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 C   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 N   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008857-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    2.1869    0.2308   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -0.8105    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    1.5914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0356   -1.8244   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2223   -0.6647    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605    0.5589    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157    0.3419    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337    1.6635   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7171   -1.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9385    0.6606   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442    2.6677   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6004   -1.9271    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998   -1.9271   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -1.6322   -0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190   -1.6315    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085   -1.0107   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1041👍, 0💬