Molecule FYI-1001809

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A

Molecule Summary:

ID: FYI-1001809
SMILES: C1=CC(=C(C=C1O)F)N

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001809 Edit

Molecule Structure SMILES String: C1=CC(=C(C=C1O)F)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001809
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   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
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001809-3D
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.3792   -0.0553    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424    1.1890    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6502    1.2720   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    0.0757   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7649   -1.1697   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6222   -1.2235   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899   -2.4116   -0.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    0.1275   -0.0155 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    2.5167    0.0657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4640   -0.1130    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3446    2.0914    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -2.0629   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6441   -3.1337   -0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7607    3.2937   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    2.4919   -0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  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
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2023-01-06, 2632👍, 0💬