Molecule FYI-1004323

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A

Molecule Summary:

ID: FYI-1004323
Names:
InChIKey: SDKQWXCBSNMYBN-UHFFFAOYSA-N
SMILES: O=Cc2cc1ccccc1nc2Cl

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004323 Edit

Molecule Structure InChIKey: SDKQWXCBSNMYBN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc2cc1ccccc1nc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004323
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004323-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
   -2.5811   -2.2276   -0.0237 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181    1.6410    0.5388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906   -1.5671    0.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914    0.6718   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -0.7240    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    1.1734   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5969    0.3073   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098    1.5225   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -1.2217    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335   -1.0425   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1949    0.9977    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -0.3762    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450    0.8455   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    2.2456   -0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    2.5996   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176   -2.2943    0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    1.6581    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -0.7944    0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5642    0.4400   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$

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2023-09-07, 1438👍, 0💬