Molecule FYI-1008501

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A

Molecule Summary:

ID: FYI-1008501
Names:
InChIKey: VDMBMDXLWKXMIQ-UHFFFAOYSA-N
SMILES: Nc2cc(CCc1ccccc1)ccn2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008501 Edit

Molecule Structure InChIKey: VDMBMDXLWKXMIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(CCc1ccccc1)ccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008501
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008501-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    4.3123    0.4497    0.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4531   -1.9268    0.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243    0.2076   -0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    0.1041    0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    0.2924   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161   -0.0021    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.8683   -0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9928    1.1523    0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8050   -1.2557    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1843    1.5302   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910   -0.7362    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3584    1.0531   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1706   -1.3547   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406    1.5549    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9472   -0.2003   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742    1.0837   -1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596   -0.6553   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735    0.9729    1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396   -0.7610    1.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853   -1.8428   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5454    2.1347    0.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -2.1624    0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    2.4520   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9631    1.9518   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6292   -2.3306   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586    2.4956    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0104   -0.2776   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841   -2.7766    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4373   -1.8256    0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  0  0  0  0
 10 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1268👍, 0💬