Molecule FYI-1016389

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Molecule Summary:

ID: FYI-1016389
Names:
InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N
SMILES: Nc1ccc(CCO)cc1

Received at FYIcenter.com on: 2025-12-16

Molecule ID: FYI-1016389 Edit

Molecule Structure InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccc(CCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016389
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016389-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
   -2.8563   -1.0836    0.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459   -0.3449    0.4268 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484    0.5552   -0.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6086    0.3195   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    1.3593    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0482   -0.9410   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    0.2809    0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -0.1219    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238    1.1385    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984   -1.1618   -0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3435   -0.0868   -1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937    1.5874   -1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481    2.3452    0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486   -1.7601   -1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0091    0.4806    0.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005    0.9069    1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258    1.9568    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7235   -2.1485   -0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527   -1.2587    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    0.4085    0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4558   -1.2178    1.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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