Molecule FYI-1007174

A

Molecule Summary:

ID: FYI-1007174
Names:
InChIKey: OKPGYIAHHHVLKA-MDZDMXLPSA-N
SMILES: O=N(=O)c1ccccc1/C=C/c3cc(O)c2ccccc2n3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007174 Edit

Molecule Structure InChIKey: OKPGYIAHHHVLKA-MDZDMXLPSA-N

Molecule Structure SMILES String: O=N(=O)c1ccccc1/C=C/c3cc(O)c2ccccc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007174
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8999    0.0000 O   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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007174-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    4.7971    4.4101   -1.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.3563   -0.9439 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463    2.8941   -1.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2941    2.6326   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8144    3.3336    1.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    2.7169    1.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847    1.4165    1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9817    0.7229    0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959    1.3148   -0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126    0.5303   -1.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814   -0.3712   -2.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0939   -1.1775   -3.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141   -1.0548   -3.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5031   -1.7766   -5.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6921   -1.6810   -5.8456 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4873   -2.5958   -5.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866   -3.2811   -6.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -4.0897   -7.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   -4.2440   -6.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097   -3.5576   -5.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159   -2.7123   -4.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267   -2.0220   -3.7794 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1370    4.3521    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    3.2455    2.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695    0.9299    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381   -0.2986    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.7182   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415   -0.5471   -1.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856   -0.3939   -3.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3304   -1.1847   -5.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4757   -3.1643   -7.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222   -4.5956   -8.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -4.8850   -6.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143   -3.6749   -4.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

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2024-02-18, 203👍, 0💬