Molecule FYI-1001442

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A

Molecule Summary:

ID: FYI-1001442
SMILES: O=C(C(C)N(CC)CC)C1=CC=CC=C1.Cl

Received at FYIcenter.com on: 2022-07-26

Molecule ID: FYI-1001442 Edit

Molecule Structure SMILES String: O=C(C(C)N(CC)CC)C1=CC=CC=C1.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001442
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.1067    0.0000 Cl  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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001442-3D
FYIcenter.com

 36 35  0  0  1  0  0  0  0  0999 V2000
    1.4877   -0.0321   -1.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005    0.0852   -0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    1.4597   -0.4900 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1135    1.5484   -1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447    2.5807   -0.5504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178    2.4135    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    2.5214    1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7183    3.9077   -0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752    5.1118   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -1.1540   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214   -2.4174   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -3.5853    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281   -3.5131    1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -2.2763    1.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.1089    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014   -1.6856    2.5601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5602    1.5193    0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    1.5479   -2.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    0.6731   -1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.4372   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    1.4346    0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1244    3.1561    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    1.7436    2.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4264    2.3717    2.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373    3.5231    2.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    4.0527   -1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108    3.9647    0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    5.0890   -1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816    6.0432   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0776    5.1549    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5800   -2.5081   -1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112   -4.5468   -0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325   -4.4137    1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364   -2.2193    2.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676   -0.1885    1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8285   -0.7739    2.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  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 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 2698👍, 0💬