Molecule FYI-1010638

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A

Molecule Summary:

ID: FYI-1010638
Names:
InChIKey: PYALIWQYVNJNAM-UHFFFAOYSA-N
SMILES: O=C1CCCCC1(NCl)c2ccccc2Cl

Received at FYIcenter.com on: 2024-06-28

Molecule ID: FYI-1010638 Edit

Molecule Structure InChIKey: PYALIWQYVNJNAM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC1(NCl)c2ccccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1010638
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6682    4.9415    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6682    3.5297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    3.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    1.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185    0.4563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    4.2357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1136    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136    0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.8308    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010638-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    2.1833    0.0683   -0.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9469    0.0342   -0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789    1.3457   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749    1.2645    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158    0.0886   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -1.2356    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -1.2925   -0.4460 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0353   -1.5583   -1.9131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5442   -0.3171   -3.0015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9481   -2.4747    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -3.5471   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1257   -4.6319   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668   -4.6811    1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9454   -3.6269    2.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -2.5283    1.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -1.2588    2.7136 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    1.7061   -1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915    2.0846    0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236    2.1966    0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344    1.1954    1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3329    0.2322   -1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9422    0.0575    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8933   -2.0465   -0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662   -1.4406    1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140   -2.4077   -2.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196   -3.5568   -1.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -5.4306   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046   -5.5212    1.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -3.6591    3.2097 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  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  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 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1774👍, 0💬