Molecule FYI-1008394

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Molecule Summary:

ID: FYI-1008394
Names:
InChIKey: DLAFWIYXXOBITQ-UHFFFAOYSA-N
SMILES: Fc1cc(Cl)ncn1

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

Molecule ID: FYI-1008394 Edit

Molecule Structure InChIKey: DLAFWIYXXOBITQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1cc(Cl)ncn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008394
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 F   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
    2.4249    2.8000    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
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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  2  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008394-3D
FYIcenter.com

 10 10  0     0  0  0  0  0  0999 V2000
    2.7204   -0.9058    0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3191   -1.1152    0.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    1.1088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401   -0.2395   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -0.3883   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1495    1.6323    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0777   -2.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2184    2.7132    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1928👍, 0💬