Molecule FYI-1006352

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A

Molecule Summary:

ID: FYI-1006352
Names:
InChIKey: WHVUPKSFLNXRHY-UHFFFAOYSA-N
SMILES: CCCNc1ccccc1N

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006352 Edit

Molecule Structure InChIKey: WHVUPKSFLNXRHY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNc1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006352
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    3.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718    3.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    2.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6753    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4639    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8566    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    0.8452    0.0000 N   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  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 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006352-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
   -0.9829    0.5194    0.0254 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870    2.3629   -0.0031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133   -0.3775    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4226    0.4032   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217    0.0773    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182    0.9690   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6477   -0.5002   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058   -1.3061    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7317    0.4997   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9195   -1.7754   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825   -0.8724   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0992   -0.9907    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0782   -1.0460   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4351    1.0493   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4889    1.0673    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627    1.5150    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6336   -1.1474   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6878   -1.1343    0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5617    0.1009   -0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844   -2.0522    0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5696    1.1923   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1153   -2.8437   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052   -1.2377   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    2.9979   -0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2512    2.7407    0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2023-12-29, 375👍, 0💬