Molecule FYI-1005481

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A

Molecule Summary:

ID: FYI-1005481
Names:
InChIKey: BVURNMLGDQYNAF-SECBINFHSA-N
SMILES: C[C@H](c1ccccc1)N(C)C

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005481 Edit

Molecule Structure InChIKey: BVURNMLGDQYNAF-SECBINFHSA-N

Molecule Structure SMILES String: C[C@H](c1ccccc1)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005481
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4247    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005481-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    2.0131   -0.5203    0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643    0.6552   -0.1302 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3063    0.2965   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5406    1.7359    0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255   -0.1496   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961   -1.5470   -0.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066   -0.7177    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122    0.9918   -0.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597   -1.0481    0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655    0.6617   -0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891   -0.3584    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    1.0690   -1.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123    2.5560    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148    2.1903    0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445    1.3471    1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.4272    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628    0.4085   -0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0563   -1.0471   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722   -2.4023   -0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247   -1.1769   -1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948   -1.9761   -0.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0145   -1.2521    1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    1.7890   -1.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910   -1.8370    1.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2894    1.1993   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0430   -0.6142    0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$

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2023-11-06, 685👍, 0💬