Molecule FYI-1008777

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Molecule Summary:

ID: FYI-1008777
Names:
InChIKey: BFSRQBNYKYIEJG-UHFFFAOYSA-N
SMILES: Nc1nccc(F)c1C=O

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

Molecule ID: FYI-1008777 Edit

Molecule Structure InChIKey: BFSRQBNYKYIEJG-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nccc(F)c1C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008777
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008777-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -0.7612   -2.4001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410   -0.4126   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9035    1.7334   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4651    1.8285    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -0.3173    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712    1.0642    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -1.0601    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248    0.9779   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -1.0062    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9553   -0.9663   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9562    1.5344   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -2.1089    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2739    1.4614    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3511    2.8352   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 1501👍, 0💬