Molecule Editor

Molecule ID: FYI-1017645 Edit

Molecule Structure InChIKey: LXKHXYDHEREFQG-UHFFFAOYSA-N

Molecule Structure SMILES String: OCc2nc1ccccc1cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1017645
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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    0.0000    0.0000 O   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  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017645-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -2.5301    1.7941   -0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5182   -1.0332    0.8621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499   -1.2042   -0.2328 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.7274    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -0.6643   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -0.3732   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    1.5524    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    0.9989   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610    1.2568    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019   -1.4834   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8509   -1.0284   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    0.4144    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -0.9573    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0548    2.6306    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    2.3292    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -2.5615   -0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675   -0.5047   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355   -2.0659   -0.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3675    0.8270    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478   -1.6220    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    2.7210   -0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3777   -1.4673    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$