Molecule FYI-1007523

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A

Molecule Summary:

ID: FYI-1007523
Names:
InChIKey: HAQTUFCOLOIDNN-UHFFFAOYSA-N
SMILES: O=c3ccn2c(c1ccccc1F)nnc2[nH]3

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007523 Edit

Molecule Structure InChIKey: HAQTUFCOLOIDNN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3ccn2c(c1ccccc1F)nnc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007523
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.0246    1.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6552    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7184    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    2.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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
  7  2  1  0  0  0  0
  8  6  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
 12 11  2  0  0  0  0
 13 12  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007523-3D
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9792   -0.2697   -0.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022   -0.2189   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    1.1056   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2309    1.1658   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803   -0.0009   -0.0231 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394   -0.2700    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4268    0.7143    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3111    1.9610    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3260    2.9183    0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4995    2.6244   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6612    1.3691   -0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6320    0.4293   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8253   -0.7554   -1.2342 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932   -1.5865    0.0790 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553   -2.1877    0.0806 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -1.2333    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969   -1.3367    0.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568    1.9823   -0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7507    2.1096   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    2.2104    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1998    3.8920    1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2898    3.3671   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5805    1.1125   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698   -2.2519    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  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 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 155👍, 0💬