Molecule FYI-1001369

Home > Molecule

A

Molecule Summary:

ID: FYI-1001369
SMILES: C1(C=CC=CN1)=N

Received at FYIcenter.com on: 2022-06-13

Molecule ID: FYI-1001369 Edit

Molecule Structure SMILES String: C1(C=CC=CN1)=N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001369
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001369-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.9687   -0.0359   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732   -1.3061   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677   -1.1858    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    0.1135    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745    1.2270   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2943    1.1578   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640   -0.0425    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829   -2.2580   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -2.0668    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9076    0.1555    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    2.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8454    2.0052   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167   -1.0032    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2436👍, 0💬