Molecule Editor

Molecule ID: FYI-1014586 Edit

Molecule Structure InChIKey: VONWPEXRCLHKRJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCl)Nc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014586
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014586-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    4.1737    0.1558    0.9208 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8298   -1.3842   -0.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360    0.6996   -0.2227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095    0.3579   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796    1.3577   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847   -0.9838   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248    1.0158    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299   -1.3258    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.3260    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -0.1570   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469    0.5901   -0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214    1.6990   -0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3018    2.4074   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.8138   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6803    1.7941    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236   -2.3703    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3474   -0.5922    0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    1.6747   -0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    0.2823   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$