Molecule FYI-1013761

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A

Molecule Summary:

ID: FYI-1013761
Names:
InChIKey: WTTANKAOGOHLLX-UHFFFAOYSA-N
SMILES: CCCCC(CCN1CCCC1)c2ccccc2

Received at FYIcenter.com on: 2025-01-24

Molecule ID: FYI-1013761 Edit

Molecule Structure InChIKey: WTTANKAOGOHLLX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CCN1CCCC1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013761
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.7029    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.4834    0.0000 C   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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013761-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
    0.8937    0.3397   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109    0.2462   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -1.0944    0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255   -1.1654    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0201   -2.4375    1.1677 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6384   -3.7682    0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942   -4.9708    1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009   -6.3251    0.6646 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7346   -7.3075    1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097   -7.4178    0.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7832   -7.3784   -0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -6.5614   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5401   -2.2960    1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791   -2.4213    2.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5728   -2.4063    2.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3443   -2.2583    1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7231   -2.1200    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300   -2.1388    0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747    1.3008   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    0.2620    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529   -0.4569   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180    1.0720    0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7807    0.3757   -1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -1.9092   -0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5297   -1.2151    1.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8131   -0.2914    1.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730   -1.0612   -0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6182   -2.4913    2.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9488   -3.7238   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496   -3.8964    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9469   -4.9325    2.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3778   -4.8294    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200   -8.2737    1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7900   -7.0284    2.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6402   -8.3293    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7446   -6.5647    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6084   -8.3977   -0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5977   -6.9429   -1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433   -7.1427   -1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581   -5.6462   -1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5970   -2.5656    3.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0562   -2.5304    3.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4291   -2.2593    1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211   -2.0077   -0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668   -2.0571   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
M  END
$$$$

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2025-02-16, 747👍, 0💬