Molecule FYI-1001772

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A

Molecule Summary:

ID: FYI-1001772
SMILES: cc1nccc(C)c1

Received at FYIcenter.com on: 2022-11-27

Molecule ID: FYI-1001772 Edit

Molecule Structure SMILES String: cc1nccc(C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001772
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    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
    3.6373    2.1000    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
    1.2124    2.1000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001772-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.0301   -0.1153   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651   -0.1199   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636   -1.3009   -0.0749 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3566   -1.2439   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2077   -0.0280   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688    1.1447   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2468    2.4762   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    1.1071   -0.2756 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4865   -1.0514   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506    0.7973   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160   -2.1929    0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780   -0.1374    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3366    2.3752   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293    3.0568    0.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0040    3.0462   -1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953    2.0329   -0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-11, 2140👍, 0💬