Molecule FYI-1004972

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A

Molecule Summary:

ID: FYI-1004972
Names:
InChIKey: LKHRMULASXZCLG-UHFFFAOYSA-N
SMILES: CCn2c(=O)[nH]c1cc(Cl)c(Cl)cc12

Received at FYIcenter.com on: 2023-10-04

Molecule ID: FYI-1004972 Edit

Molecule Structure InChIKey: LKHRMULASXZCLG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn2c(=O)[nH]c1cc(Cl)c(Cl)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004972
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.8121    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755    4.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    4.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    2.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7719    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    5.8527    0.0000 Cl  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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004972-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    3.2381    2.0667    0.1810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0206   -1.0365   -0.2472 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840   -1.3237    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629    0.3149    0.2318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0888   -1.8606   -0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2643    0.2377    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0802   -1.0998   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4247    1.5221    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2063   -0.9942    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6952    1.2262    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874   -1.5157   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7941    2.1615   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307    0.8285    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -0.5273   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3455    1.2601    0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658    2.2195    1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230   -2.8650   -0.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    2.2670    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -2.5626   -0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002    2.4443   -1.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    1.4741   -1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920    3.0629   -0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$

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2023-10-13, 1934👍, 0💬