Molecule FYI-1008368

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Molecule Summary:

ID: FYI-1008368
Names:
InChIKey: VRDMHNPYZPJHAN-UHFFFAOYSA-N
SMILES: Cc1cc(F)nc(C)n1

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

Molecule ID: FYI-1008368 Edit

Molecule Structure InChIKey: VRDMHNPYZPJHAN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(F)nc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008368
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 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
    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 N   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 C   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-1008368-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -1.5366    2.2200    0.0010 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684   -1.1359   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965   -0.0774    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277    0.0920   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782   -1.1469    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012    1.2653   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184    0.1510    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -2.4862    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7709    1.1181   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672    2.2423   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    0.6701    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -0.8546   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    0.6773   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1605   -2.4630    0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696   -2.7817   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766   -3.2432    0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1522👍, 0💬