Molecule FYI-1006036

Home > Molecule

A

Molecule Summary:

ID: FYI-1006036
Names:
InChIKey: QOMVXZRHBUNRLK-UHFFFAOYSA-N
SMILES: Cc3ccc(n2cc(CO)c1ccccc12)cc3

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006036 Edit

Molecule Structure InChIKey: QOMVXZRHBUNRLK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(n2cc(CO)c1ccccc12)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006036
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.2100    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    5.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    5.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8367    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1429    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5755    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  3  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006036-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.5061    0.0360    0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0071    0.0199    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867   -1.0544    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116   -1.0505    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075    0.0261   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343    0.0108   -0.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298   -0.6138    0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622   -0.4022    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5393   -0.8568    1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2788   -2.0689    2.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3923    0.3479   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4469    0.8321   -1.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1636    1.5169   -2.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8498    1.7169   -3.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7921    1.2447   -2.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674    0.5857   -1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0871    1.1129   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    1.1051   -0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -0.8911    0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612    0.8685    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8988    0.1464   -0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8077   -1.9090    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315   -1.9195    0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5932   -1.1102    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4069   -1.0308    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8108   -0.0918    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9357   -2.6932    1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4802    0.6621   -1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9788    1.8786   -3.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6406    2.2337   -3.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767    1.3761   -2.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845    2.0051   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8511    1.9598   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 376👍, 0💬