Molecule FYI-1001489

Home > Molecule

A

Molecule Summary:

ID: FYI-1001489
SMILES: ClC1N=C(C=CC=1)COC2=CC=C(C=C2)OC3C(Cl)=CC(Cl)=CC=3

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001489 Edit

Molecule Structure SMILES String: ClC1N=C(C=CC=1)COC2=CC=C(C=C2)OC3C(Cl)=CC(Cl)=CC=3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001489
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.9119   11.9001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  7  6  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 24 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001489-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.7114    2.1793    3.9641 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.8014    2.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234    0.1813    2.6072 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058   -0.9247    1.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -1.4239    1.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085   -0.7548    1.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160    0.3836    2.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7892   -1.6595    1.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953   -2.3875    0.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769   -3.4290    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.4925   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9562   -5.6259   -0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2194   -5.6598   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420   -4.6011    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8272   -3.4797    0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0921   -6.7157   -0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682   -7.3086   -1.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971   -8.6429   -1.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0227   -9.5109   -0.0760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8730   -9.3066   -2.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188   -8.6368   -3.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   -9.4601   -5.4436 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2278   -7.3017   -3.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832   -6.6277   -2.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962   -2.3254    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -1.1261    1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652    0.9211    2.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752   -2.3348    2.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6049   -0.9313    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907   -4.4471   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5930   -6.4619   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104   -4.6428    1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1964   -2.6603    1.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039  -10.3419   -2.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0309   -6.7739   -4.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8101   -5.5766   -2.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 488👍, 0💬