Molecule FYI-1000271

Home > Molecule

A

Molecule Summary:

ID: FYI-1000271
SMILES: N[C@@](F)([12C])C(=O)O

Received at FYIcenter.com on: 2021-02-25

Molecule ID: FYI-1000271 Edit

Molecule Structure SMILES String: N[C@@](F)([12C])C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000271
FYIcenter.com

  7  6  0  0  1  0  0  0  0  0999 V2000
    3.1250    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000271-3D
FYIcenter.com

 10  9  0  0  1  0  0  0  0  0999 V2000
    1.1020   -0.0170   -0.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480   -0.1088   -0.0409 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0272    1.1428   -0.2976 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636   -0.4815    1.3804 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.0343   -1.0977   -1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -2.2759   -1.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.5123   -2.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    0.5421    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -0.9559    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309    0.4389   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-04-15, 2662👍, 0💬