Molecule FYI-1001107

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A

Molecule Summary:

ID: FYI-1001107
SMILES: CC1CC(C)c2c(n1)c1CCCCC1CC2

Received at FYIcenter.com on: 2022-01-04

Molecule ID: FYI-1001107 Edit

Molecule Structure SMILES String: CC1CC(C)c2c(n1)c1CCCCC1CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001107
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  1  0  0  0  0
  6  4  2  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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001107-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.2226    0.9636    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585    0.0161   -0.1743 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9015   -1.4220    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8644   -2.2745   -0.6314 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3894   -3.7236   -0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2427   -1.9803   -0.0837 C   0  0  3  0  0  3  0  0  0  0  0  0
    4.6366   -0.5626    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6306    0.3588    0.2290 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.9732   -0.2883    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4808    1.1505    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    1.4326    0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8486    0.3625    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2921   -0.9933    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0580   -1.3547    0.1376 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5293   -2.7052    0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717   -3.0690   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104    0.6552    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3661    1.9862    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    0.9773    1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1636    0.1360   -1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617   -1.6460   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0164   -1.6075    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642   -1.9404   -1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354   -4.1399    0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918   -4.3595   -1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344   -3.7751   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    1.8675    0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6324    1.3899   -0.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104    1.5062    1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1918    2.4075    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7563    0.5795    1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1340    0.3540   -0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0395   -0.9820    2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681   -1.7572    0.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812   -1.4537   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175   -2.6630    1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862   -3.4812    0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704   -3.9880    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5143   -3.2837   -1.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
$$$$

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2022-02-04, 2274👍, 0💬