Molecule FYI-1008656

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Molecule Summary:

ID: FYI-1008656
Names:
InChIKey: STCIIFCOOYREBT-UHFFFAOYSA-N
SMILES: CCOc1ncccc1CN

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

Molecule ID: FYI-1008656 Edit

Molecule Structure InChIKey: STCIIFCOOYREBT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1ncccc1CN

Download SDF Download SVG Structure in 2D SDF:

FYI-1008656
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   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
    3.6373    2.8000    0.0000 O   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 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
    1.2125    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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  1  0  0  0  0
  5  4  2  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008656-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    1.4527    0.2492    0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0581   -1.5722   -0.1583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    2.8505   -0.7191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997    0.6084    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    2.0634    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -0.2462    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789    0.0676    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968   -0.6915   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410   -1.2922   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007   -2.0619   -0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8277    0.0250    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5251    2.4375    1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    2.2400    1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0569    0.6940    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627   -1.4646    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   -1.1601   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3285   -1.7357   -0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -3.1276   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    0.8115   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436    0.5132    0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6575   -0.6723   -0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    3.8343   -0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    2.7892   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1472👍, 0💬