Molecule FYI-1014006

A

Molecule Summary:

ID: FYI-1014006
Names:
InChIKey: RHHJHKULZOSWPL-UHFFFAOYSA-N
SMILES: NC3CC(c1ccccc1)C(c2ccc(Cl)c(Cl)c2)C3

Received at FYIcenter.com on: 2025-02-16

Molecule ID: FYI-1014006 Edit

Molecule Structure InChIKey: RHHJHKULZOSWPL-UHFFFAOYSA-N

Molecule Structure SMILES String: NC3CC(c1ccccc1)C(c2ccc(Cl)c(Cl)c2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014006
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2105    3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    6.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    5.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    6.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    5.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    6.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446    7.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7774    7.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989    4.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602    3.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4508    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7800    1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8187    2.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5281    3.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    8.9946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1502    1.8698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014006-3D
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.8099    0.1219    0.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    0.0877    0.1574 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8448   -1.2068    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2431   -0.8540    1.2869 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4388   -1.7023    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -2.8088    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4814   -3.4512   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7428   -3.0319   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8629   -1.9945    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7204   -1.3451    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3882    0.6988    1.0806 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2640    1.2183   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4613    0.5246   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4090    0.9561   -2.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    2.1262   -1.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.5741   -3.1415 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8893    2.8794   -0.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7134    4.3631   -0.4912 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9618    2.4260    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    1.1904    0.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4016   -0.6411   -0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4493    0.9855   -0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273    0.1767   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8279   -1.9679   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -1.5967    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -1.0112    2.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -3.1764   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794   -4.2697   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6312   -3.5149   -0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8476   -1.6733    1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8475   -0.5184    2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128    1.1082    2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9280   -0.3988   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5921    0.3539   -3.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8032    3.0079    1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471    2.1683    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    1.2711    1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 833👍, 0💬