Molecule FYI-1007951

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A

Molecule Summary:

ID: FYI-1007951
Names:
InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N
SMILES: O=c1[nH]cnc2ccccc12

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007951 Edit

Molecule Structure InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1[nH]cnc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007951
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   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
    3.6373    4.2000    0.0000 N   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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007951-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
   -1.6760   -2.0730    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130    1.8248   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    0.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3365    0.9031   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313   -0.4676   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    1.3077    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508   -1.4231   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064   -0.8758   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6929    0.3541    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821   -1.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    1.3458    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    2.3638    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -2.4866   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036    2.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    0.6719    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800   -1.7435   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419    2.1524    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

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2024-04-14, 155👍, 0💬