Molecule FYI-1015741

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A

Molecule Summary:

ID: FYI-1015741
Names:
InChIKey: VTGOHKSTWXHQJK-UHFFFAOYSA-N
SMILES: O=c1nccc[nH]1

Received at FYIcenter.com on: 2025-10-07

Molecule ID: FYI-1015741 Edit

Molecule Structure InChIKey: VTGOHKSTWXHQJK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1nccc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015741
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 O   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015741-3D
FYIcenter.com

 11 11  0     0  0  0  0  0  0999 V2000
   -2.2443   -0.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243   -1.1749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    1.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955    0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723   -2.0863    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519   -2.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706    0.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    2.1878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
$$$$

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2025-10-14, 744👍, 0💬