Molecule FYI-1008765

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A

Molecule Summary:

ID: FYI-1008765
Names:
InChIKey: XQGWFDYAUYHZRP-UHFFFAOYSA-N
SMILES: Nc2cc(OC1CC1)ccn2

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

Molecule ID: FYI-1008765 Edit

Molecule Structure InChIKey: XQGWFDYAUYHZRP-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(OC1CC1)ccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008765
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    7.4622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    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
    0.7000    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    0.7000    0.0000 N   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008765-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
   -1.2880    0.7220    0.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -0.9115   -0.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506    1.2795   -0.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3876    0.0060   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310    0.6753   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519   -0.5219    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0415    0.1874    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753    1.0159    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210   -1.1899    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    0.4222   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108   -1.6849   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.5258   -1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3983    0.5447   -1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8030    1.6406    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3364   -0.3620    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9261   -1.4585    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    2.0928    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107   -1.8850    0.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921   -2.7521   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3373    2.2225   -0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596    0.8419   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1588👍, 0💬