Molecule FYI-1007526

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A

Molecule Summary:

ID: FYI-1007526
Names:
InChIKey: NROYWUQENVRFDG-UHFFFAOYSA-N
SMILES: O=c3ccn2c(c1cccc(F)c1)nnc2[nH]3

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007526 Edit

Molecule Structure InChIKey: NROYWUQENVRFDG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3ccn2c(c1cccc(F)c1)nnc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007526
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.0244    2.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    2.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489    2.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    3.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.3798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    5.5923    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 F   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  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  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007526-3D
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9136   -0.1130    0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391   -0.0611    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275    1.2641   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1691    1.3192   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9145    0.1483    0.0092 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2733   -0.1251    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3664    0.8510    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2806    2.0989    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    3.0413    0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569    2.7269   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5779    1.4699   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6989    1.1569   -1.4185 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515    0.5336   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273   -1.4413    0.0392 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -2.0414    0.0574 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2981   -1.0835    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291   -1.1822    0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972    2.1417   -0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6916    2.2615   -0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4206    2.3579    1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2092    4.0142    1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2634    3.4462   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840   -0.4384   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994   -2.0943    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
$$$$

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2024-03-07, 131👍, 0💬