Molecule FYI-1003352

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A

Molecule Summary:

ID: FYI-1003352
Names:
InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N
SMILES: c2ccc1NCCc1c2

Received at FYIcenter.com on: 2023-06-05

Molecule ID: FYI-1003352 Edit

Molecule Structure InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1NCCc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003352
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    4.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    4.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159    3.5274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003352-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -1.5608   -1.1831    0.0822 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336    1.2309    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355    0.7120    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4535   -0.0544   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -0.6849    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    1.4162   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160   -1.4114    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1465    0.6893   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -0.7145   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284    1.6329    1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8475    1.9912   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3307   -0.0993    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060   -0.0826   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -2.1318   -0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9684    2.5004    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083   -2.4962    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985    1.2131   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -1.2638   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2023-07-08, 1126👍, 0💬