Molecule Editor

Molecule ID: FYI-1016203 Edit

Molecule Structure InChIKey: MKOWRFNHHNPOHT-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1NN=CC1c2ccc(F)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016203
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.0655    5.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016203-3D
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    1.1278    0.3100    0.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467    0.0140    0.1312 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1621    1.1053   -0.6100 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    0.7758   -1.9055 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.5109   -1.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757   -1.2106   -0.6993 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9983   -2.3564   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -3.4502    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270   -4.5416   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -4.5440   -1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5407   -5.5996   -1.2422 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -3.4642   -1.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0006   -2.3687   -1.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    1.0915    0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6421   -0.4844    0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543   -0.0518    1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782    1.9397   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5474   -1.0790   -2.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279   -1.6091   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393   -3.4678    0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3015   -5.3942    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127   -3.4818   -2.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -1.5240   -2.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  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  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$