Molecule FYI-1001363

Home > Molecule

A

Molecule Summary:

ID: FYI-1001363
SMILES: CNCc1ccccc1

Received at FYIcenter.com on: 2022-06-08

Molecule ID: FYI-1001363 Edit

Molecule Structure SMILES String: CNCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001363
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001363-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.0527    2.3100    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068    2.2761    0.2061 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894    1.1606   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002    1.0895   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193    0.8591    0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138    0.7857    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    0.9263   -0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6051    1.1446   -1.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2106    1.2283   -1.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    3.1414    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    1.3872    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6355    2.4715   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    2.1736    1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210    1.2768   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    0.2033   -0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    0.7402    1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1578    0.6207    1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    0.8682   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1444    1.2534   -2.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    1.4044   -2.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  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
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2862👍, 0💬