Molecule FYI-1009963

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A

Molecule Summary:

ID: FYI-1009963
Names:
InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N
SMILES: Clc2ccc1c(Cl)ccnc1c2

Received at FYIcenter.com on: 2024-05-22

Molecule ID: FYI-1009963 Edit

Molecule Structure InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc2ccc1c(Cl)ccnc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009963
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  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
    3.6373    1.4000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009963-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    2.5603   -2.2003    0.0013 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0418    0.2278    0.0003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7381    1.9300    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -0.4581   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0819    0.8620    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697   -1.5497   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049   -0.6397   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    1.0419    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.3408   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424   -0.0433    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6523    0.4588   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    1.7114    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204   -2.5785   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623    2.0552    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5153   -2.1967   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    0.3566   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6853    2.6073    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

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2024-05-29, 156👍, 0💬