Molecule FYI-1007755

Home > Molecule

A

Molecule Summary:

ID: FYI-1007755
Names:
InChIKey: WAWDTTPWRMZCOX-UHFFFAOYSA-N
SMILES: O=C(Cc1ccc(Cl)cc1)Nc2ncccc2F

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007755 Edit

Molecule Structure InChIKey: WAWDTTPWRMZCOX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1ccc(Cl)cc1)Nc2ncccc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007755
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 15 16  1  0  0  0  0
  8 17  2  0  0  0  0
  5 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007755-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.9460   -0.0313    0.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735   -0.0090    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -0.2993   -1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.9153   -2.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345    1.2396   -2.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6476    2.3322   -3.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676    3.1033   -3.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    4.4442   -4.8426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    2.7903   -3.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.6975   -2.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166    0.2694    1.1255 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093    0.3388    2.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914   -0.1105    2.8373 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666   -0.0562    4.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9108    0.4296    5.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684    0.8836    4.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199    0.8291    3.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7339    1.2542    3.0206 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205   -1.0334   -1.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -0.7966   -0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872    0.6355   -2.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6550    2.5690   -3.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    3.3850   -3.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429    1.4553   -2.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783    0.5203    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0743   -0.4291    4.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    0.4519    6.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2751    5.4803 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 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 148👍, 0💬