Molecule FYI-1007150

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Molecule Summary:

ID: FYI-1007150
Names:
InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N
SMILES: Brc2ccc1[nH]ccc1c2

Received at FYIcenter.com on: 2024-02-05

Molecule ID: FYI-1007150 Edit

Molecule Structure InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc2ccc1[nH]ccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007150
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.6776    4.3157    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007150-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
   -3.6437   -0.7055    0.0002 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1682    0.8298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263   -0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.3555    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -1.1052   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096    1.6594   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694   -0.4002    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363   -0.1457   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5348    1.2148    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    1.7137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402   -2.4249    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -2.1670   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    2.7187   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8468   -0.4864    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3303    1.9570    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2024-02-11, 274👍, 0💬