Molecule FYI-1006356

Home > Molecule

A

Molecule Summary:

ID: FYI-1006356
Names:
InChIKey: ZDSUKNAKOLBIPX-UHFFFAOYSA-N
SMILES: Fc2ccc1nc[nH]c1c2

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006356 Edit

Molecule Structure InChIKey: ZDSUKNAKOLBIPX-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc2ccc1nc[nH]c1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006356
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.3157    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    4.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    2.7160    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
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006356-3D
FYIcenter.com

 15 16  0     0  0  0  0  0  0999 V2000
   -3.1460    0.6180    0.0005 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808    1.3093   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399   -0.8653    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632    0.6783   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7767   -0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8453    1.1625   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2646   -1.6217   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692    0.2096   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5861   -1.1582   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    0.3457    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627    2.2244   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    2.3090   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035   -1.8746   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7027    0.5918    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 292👍, 0💬