Molecule FYI-1008636

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A

Molecule Summary:

ID: FYI-1008636
Names:
InChIKey: BABNDIHHFOPOOI-UHFFFAOYSA-N
SMILES: Nc1cc(=O)[nH]c2CCCc12

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

Molecule ID: FYI-1008636 Edit

Molecule Structure InChIKey: BABNDIHHFOPOOI-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(=O)[nH]c2CCCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008636
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    4.6776    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4367    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008636-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    3.0407   -1.0550    0.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -1.4048   -0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    2.7251   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.5968    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    0.7692   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -1.6630   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    0.4537   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951   -0.8654   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065    1.3824   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536    0.8681    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947   -0.6136    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860   -0.6554    1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7175   -0.7468   -0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    1.4983    0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    1.1433   -1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914   -2.0927   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656   -2.4646    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501   -2.4158   -0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325    1.5045    0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001    3.0674   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    3.3830    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1593👍, 0💬