Molecule FYI-1007197

Home > Molecule

A

Molecule Summary:

ID: FYI-1007197
Names:
InChIKey: KIWHWEDXEGNASX-UHFFFAOYSA-N
SMILES: Cc2ccc1ncccc1n2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007197 Edit

Molecule Structure InChIKey: KIWHWEDXEGNASX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc1ncccc1n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007197
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
 10  5  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007197-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
   -1.0576    1.0929   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -1.2468    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2008    0.6109   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906   -0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    0.2065   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -1.6356   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974   -1.1596   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838    1.4817   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4569    0.7695    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887    1.0057    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.3604    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252   -2.7108    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7353   -1.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    2.5568   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4354    1.8643   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020    0.4424   -0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0007    0.4433    0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4332    1.6846    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7603   -0.7953    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 813👍, 0💬