Molecule FYI-1005284

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A

Molecule Summary:

ID: FYI-1005284
Names:
InChIKey: MYWUZJCMWCOHBA-VIFPVBQESA-N
SMILES: CN[C@@H](C)Cc1ccccc1

Received at FYIcenter.com on: 2023-10-21

Molecule ID: FYI-1005284 Edit

Molecule Structure InChIKey: MYWUZJCMWCOHBA-VIFPVBQESA-N

Molecule Structure SMILES String: CN[C@@H](C)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005284
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005284-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
   -3.2594    0.1452   -0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554    0.2856   -0.4459 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9478   -0.2401    0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -0.1763    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5928    1.7557   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290   -1.2584   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439    0.9629    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5611   -1.2371    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890   -1.1997   -0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039    1.0217    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264   -0.0596   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.2950   -1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1574   -1.2882    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325    0.3172    1.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6049    1.8970   -1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    2.3868    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206    2.1299   -1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8534    0.4416   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629   -2.1496   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714    1.8091    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6498   -1.3618    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2180   -1.5083    1.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721   -1.9462   -0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737   -2.0413   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1784    1.9090    0.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853   -0.0138   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1996👍, 0💬