Molecule FYI-1006148

A

Molecule Summary:

ID: FYI-1006148
Names:
InChIKey: OAQGXRHBKIGNIU-VIZOYTHASA-N
SMILES: O=C(N/N=C/c1ccc(B(O)O)o1)c2ccc(F)cc2

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006148 Edit

Molecule Structure InChIKey: OAQGXRHBKIGNIU-VIZOYTHASA-N

Molecule Structure SMILES String: O=C(N/N=C/c1ccc(B(O)O)o1)c2ccc(F)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006148
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.2045    1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6371    2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    3.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    1.8760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    2.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4055    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6458    2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8283    1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0686    1.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1264    3.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9439    4.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7036    3.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.8128    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    4.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667    3.9973    0.0000 F   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 10 16  1  0  0  0  0
 10 12  2  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006148-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.1021   -0.1138   -0.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    0.0651   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    0.6870   -1.2134 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2302    1.1145   -2.3158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275    1.6829   -3.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0739    2.1485   -4.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6179    2.7809   -5.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581    3.0581   -6.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293    2.5697   -5.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    2.6328   -6.2765 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1197    1.9809   -5.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    3.2847   -7.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739    2.0318   -4.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588   -0.4204    1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649   -1.1184    2.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364   -1.5934    3.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.3788    3.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0578   -1.8416    4.4158 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1091   -0.6870    2.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4472   -0.2113    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    0.8430   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    1.8316   -3.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    3.0176   -5.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202    3.5568   -7.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8262    1.9858   -4.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6023    3.7238   -7.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -1.3040    1.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.1309    3.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1724   -0.5171    2.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    0.3156    0.4805 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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

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2023-12-08, 264👍, 0💬