Molecule FYI-1014422

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A

Molecule Summary:

ID: FYI-1014422
Names:
InChIKey: PMMOBDDTZARBGR-FOCLMDBBSA-N
SMILES: Clc2ccc(/N=N/c1ccccc1)c(Cl)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014422 Edit

Molecule Structure InChIKey: PMMOBDDTZARBGR-FOCLMDBBSA-N

Molecule Structure SMILES String: Clc2ccc(/N=N/c1ccccc1)c(Cl)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014422
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6996    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
 10  9  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
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014422-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2584   -0.0105   -0.4006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9566   -0.0259   -0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727    1.1582   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0497    1.0733    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711   -0.1743    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -0.2024    0.5334 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6679   -0.9015   -0.2982 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0709   -0.9021   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7597   -0.2560    0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1586   -0.2462    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8890   -0.8940   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2229   -1.5704   -1.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259   -1.5765   -1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335   -1.2944    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4026   -2.9112    0.3659 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4949   -1.2520   -0.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812    2.1167   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    1.9820    0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2145    0.2573    1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6766    0.2749    1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9758   -0.8734   -0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7865   -2.0861   -1.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3145   -2.1051   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  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 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$

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2025-04-26, 653👍, 0💬