Molecule FYI-1006475

Home > Molecule

A

Molecule Summary:

ID: FYI-1006475
Names:
InChIKey: LMHHFZAXSANGGM-UHFFFAOYSA-N
SMILES: NC2Cc1ccccc1C2

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006475 Edit

Molecule Structure InChIKey: LMHHFZAXSANGGM-UHFFFAOYSA-N

Molecule Structure SMILES String: NC2Cc1ccccc1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006475
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    5.5282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  2  7  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006475-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    3.4237   -0.0034   -0.1448 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    0.0027    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2545    1.2363   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2572   -1.2322   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426    0.7009   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -0.6995   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293    1.4140   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -1.4151   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295    0.7002    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5279   -0.7039    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049    0.0050    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4876    1.5292   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102    2.0857    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141   -2.0813    0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4900   -1.5253   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332    2.4985   -0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278   -2.4997   -0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4109    0.0099   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827   -0.8748    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    1.2355    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4723   -1.2413    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  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
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 1923👍, 0💬