Molecule FYI-1009576

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Molecule Summary:

ID: FYI-1009576
Names:
InChIKey: SOTWMOLMAXYKFW-UHFFFAOYSA-N
SMILES: O=C(C(Cl)Cl)N1CCCC1

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009576 Edit

Molecule Structure InChIKey: SOTWMOLMAXYKFW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(C(Cl)Cl)N1CCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009576
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.3834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009576-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    3.1564   -0.2919    0.9696 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    1.4752   -1.1015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1308   -1.6447   -0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890   -0.1778    0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9228   -0.4212    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911    1.0628    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684   -1.0839   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140    1.1065    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7422   -0.5419   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    0.5168    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0678   -0.7008    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8228   -0.6961   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.4074   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2065    1.6829    0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -2.0830    0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -1.1496   -1.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972    1.9445   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756    1.1618    1.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529    1.1721    1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-05-16, 164👍, 0💬