Molecule FYI-1000174

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A

Molecule Summary:

ID: FYI-1000174
SMILES: N#CCCC(Br)(Cc1ccccc1)Cc2ccccc2

Received at FYIcenter.com on: 2020-10-12

Molecule ID: FYI-1000174 Edit

Molecule Structure SMILES String: N#CCCC(Br)(Cc1ccccc1)Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000174
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   10.9119    7.7000    0.0000 C   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
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4248    5.6000    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
    0.0000    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
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  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  3  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 24  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000174-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.0128    0.1474    0.3566 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656    0.0918    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239   -0.0158    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    1.1310    0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062    1.0911    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3752   -0.7503    1.5485 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4756    1.1331   -0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1700    2.3276   -1.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0371    3.4275   -1.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763    4.4592   -2.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501    4.3972   -3.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9616    3.3261   -3.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1122    2.3052   -2.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5255    2.1625    1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0432    2.2720    1.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7148    3.4498    1.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1122    3.5376    1.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645    2.4609    2.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2159    1.3148    2.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219    1.2392    2.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965   -0.0361   -0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8982   -0.9926    0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0212    1.1190    1.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    2.0904    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1506    0.2387   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675    1.0239   -0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8974    3.4651   -0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5800    5.2877   -2.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7574    5.1689   -4.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1678    3.2678   -4.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4220    1.4685   -2.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271    2.0193    2.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1444    3.1451    1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1599    4.3196    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6151    4.4489    1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9483    2.5209    2.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7860    0.4749    2.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3698    0.3471    2.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2020-10-20, 2967👍, 0💬