Molecule FYI-1007205

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Molecule Summary:

ID: FYI-1007205
Names:
InChIKey: QRCGFTXRXYMJOS-UHFFFAOYSA-N
SMILES: O=C2COc1ccccc1N2

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

Molecule ID: FYI-1007205 Edit

Molecule Structure InChIKey: QRCGFTXRXYMJOS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2COc1ccccc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007205
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 N   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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
    2.4249    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
    0.0000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  2  0  0  0  0
  5  7  2  0  0  0  0
  2 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007205-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -0.5996    1.6567   -0.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3456   -0.6917   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0884   -1.1270   -0.0399 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144   -0.6202    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    0.7572   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8531    1.1570    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -0.2982    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   -1.4975    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242    1.2633   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5987   -0.9889    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    0.3894   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218    1.7685   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    1.3173    1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2221   -2.1307   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470   -2.5732    0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991    2.3346   -0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466   -1.6670    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8234    0.7823   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2024-02-18, 189👍, 0💬