Molecule FYI-1001191

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A

Molecule Summary:

ID: FYI-1001191
SMILES: C1CnCCCnC1

Received at FYIcenter.com on: 2022-03-01

Molecule ID: FYI-1001191 Edit

Molecule Structure SMILES String: C1CnCCCnC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001191
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.4142    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131    0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131   -0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444   -1.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702   -1.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698    1.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    1.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001191-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   -1.4576    0.0022    0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096    1.3303   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    1.7960   -0.4422 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.1257    1.3213    0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607    0.0008   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -1.3220    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -1.7889   -0.4525 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3127   -1.3242   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961    0.0034    1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609    0.0011    1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    2.1069    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497    1.2777   -0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824    1.2623    1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9221    2.0776    0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -0.0017    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599    0.0038   -1.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.2697    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176   -2.0798    0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7653   -2.1022    0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578   -1.2722   -0.9441 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  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 2690👍, 0💬