Molecule FYI-1013845

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A

Molecule Summary:

ID: FYI-1013845
Names:
InChIKey: CFSKJDUGDLZDTI-UHFFFAOYSA-N
SMILES: O=C(CCl)N(Cc1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2025-02-04

Molecule ID: FYI-1013845 Edit

Molecule Structure InChIKey: CFSKJDUGDLZDTI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCl)N(Cc1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013845
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  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  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  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 11  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013845-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    2.3950    3.7567   -0.9880 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    1.2010    0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.5274    0.6769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3911    0.9015    1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5975    0.6163    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -0.8571    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599    1.4681    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072    0.2953    1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5161    0.6702   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775   -1.1075   -0.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -1.8276    1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9355    0.0285    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444    0.4033   -1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564   -2.4370   -1.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227   -3.1570    0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    2.8973    0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8541    0.0825   -1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791   -3.4619   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3864    1.9645    1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4198    0.3806    2.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.2512    2.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032    0.9436   -1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060   -0.3332   -1.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1304   -1.6395    1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8775   -0.2208    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831    0.4515   -2.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376   -2.6743   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774   -3.9558    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.9401   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    3.4260    1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7329   -0.1237   -1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175   -4.4971   -0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  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  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1126👍, 0💬