Molecule FYI-1001780

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A

Molecule Summary:

ID: FYI-1001780
SMILES: CCNc1ccc(C)cc1

Received at FYIcenter.com on: 2022-12-01

Molecule ID: FYI-1001780 Edit

Molecule Structure SMILES String: CCNc1ccc(C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001780
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.7321    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    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  2  0  0  0  0
  6  7  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
  4 10  2  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001780-3D
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.0285   -0.9943   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5420   -1.1255   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941   -0.5112   -1.3763 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4824   -0.4569   -1.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   -1.1464   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7647   -1.1220   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658   -0.4329   -2.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7351   -0.4205   -2.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3682    0.2349   -2.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9947    0.2150   -2.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139   -1.5182    0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5858   -1.4232   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277    0.0561   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960   -2.1917   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473   -0.6488    0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.3594   -1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0537   -1.7127    0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4353   -1.6575   -0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2970   -1.0024   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1180    0.6045   -2.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9265   -0.8593   -3.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7280    0.7648   -3.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192    0.7169   -3.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 1043👍, 0💬