Molecule FYI-1003318

A

Molecule Summary:

ID: FYI-1003318
Names:
InChIKey: MQXRNPMRKDAYGC-UHFFFAOYSA-N
SMILES: N#Cc3cc(c2ncc(c1cc(F)c(O)c(F)c1)cc2O)ccc3O

Received at FYIcenter.com on: 2023-06-01

Molecule ID: FYI-1003318 Edit

Molecule Structure InChIKey: MQXRNPMRKDAYGC-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cc(c2ncc(c1cc(F)c(O)c(F)c1)cc2O)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003318
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 F   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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 20  6  1  0  0  0  0
 21  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
  7 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003318-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.5850   -2.1555   -2.9336 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218   -1.5732   -2.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989   -0.8079   -0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    0.4516   -1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125    1.2152   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5237    2.4694   -0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    3.4152    0.3448 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    4.5780    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8587    4.8890   -1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5271    6.1830   -1.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667    6.2667   -2.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2436    7.4985   -2.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    7.5454   -3.3265 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    8.6770   -1.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2873    9.8803   -2.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6254    8.6125   -1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017    9.7327   -0.6343 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0268    7.3867   -0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    3.8903   -2.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1627    2.6819   -1.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1918    1.7158   -2.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8218    0.7119    1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623   -0.5344    1.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790   -1.3014    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1920   -2.5457    0.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0532    0.8261   -2.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2102    5.2766    0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1246    5.3781   -2.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263    9.7094   -2.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1453    7.4048   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2811    4.0539   -3.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6506    2.0474   -3.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2975    1.2867    1.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3111   -0.8923    2.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214   -2.7837    1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 25 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 751👍, 0💬