Molecule FYI-1008666

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Molecule Summary:

ID: FYI-1008666
Names:
InChIKey: OKDHCBRGRWHJBY-UHFFFAOYSA-N
SMILES: Cc1nc(F)cc(Cl)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008666 Edit

Molecule Structure InChIKey: OKDHCBRGRWHJBY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nc(F)cc(Cl)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008666
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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
    2.4249    4.2000    0.0000 N   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
    0.0000    4.2000    0.0000 F   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
    2.4249    0.0000    0.0000 Cl  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  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008666-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.1575    0.0134    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.0320    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997   -1.1428    0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6416   -1.0808    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082   -2.2442    0.0544 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3654    0.0773    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6007    1.2080    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334    2.7595    0.0412 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2585    1.2288    0.0425 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -1.0123    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    0.5253   -0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    0.5230    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    0.0814    0.0508 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  9  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$

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2024-06-03, 151👍, 0💬