Molecule FYI-1002093

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A

Molecule Summary:

ID: FYI-1002093
Names:
InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N
SMILES: NCCc1c[nH]c2ccccc12

Received at FYIcenter.com on: 2023-01-27

Molecule ID: FYI-1002093 Edit

Molecule Structure InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc1c[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002093
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3655    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614    4.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308    5.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8676    4.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    0.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6246    5.9037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    1.7421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3634    6.4859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002093-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    0.7303   -2.0393   -0.1435 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2684    1.0035   -0.2859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691   -0.5756    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562    0.1343    0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1904    0.0038    0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435   -0.8073   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068   -1.9095    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9781    0.4059   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    1.4917    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829   -0.4579   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    1.8559    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0213    0.8944   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7801   -0.7193    1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    0.8797    1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499   -2.7785    0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001   -2.9128   -0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457   -0.4748   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949    1.1200   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0177    2.2543    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4342   -1.2057   -0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446    2.9014    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533    1.1995   -0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7264    1.3091   -1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1242    1.8414    0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-19, 2162👍, 0💬