Molecule FYI-1005616

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A

Molecule Summary:

ID: FYI-1005616
Names:
InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N
SMILES: O=c2c1ccccc1[se]n2c3ccccc3

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005616 Edit

Molecule Structure InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c1ccccc1[se]n2c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005616
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    7.9530    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    4.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005616-3D
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2444   -0.0577   -0.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.1147   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    1.0169    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303    2.3505   -0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970    3.3686   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1577    3.0481    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5543    1.7115    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818    0.7139    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059   -1.0490    0.3878 Se  0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -1.2986    0.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756   -2.6359    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -3.7006    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389   -5.0031    0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -5.2733   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214   -4.2366   -0.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -2.9247   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    2.6014   -0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4979    4.4042   -0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    3.8330    0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5995    1.4565    0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1302   -3.5291    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550   -5.8044    1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142   -6.2871   -0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0339   -4.4523   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8694   -2.1581   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1921👍, 0💬