Molecule FYI-1014817

Home > Molecule

A

Molecule Summary:

ID: FYI-1014817
Names:
InChIKey: XXRMTVBKRQCGFQ-UHFFFAOYSA-N
SMILES: Cc1c(NC(=O)O)cccc1NC(=O)O

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014817 Edit

Molecule Structure InChIKey: XXRMTVBKRQCGFQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(NC(=O)O)cccc1NC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014817
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014817-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
   -4.6367    1.1511   -0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6367    1.1510   -0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444   -1.0250   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0444   -1.0250   -0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297    0.6869   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    0.6868    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7060    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    0.0086    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    0.0085    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081   -1.3863    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -1.3864    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.2037    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.0837    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7108    0.1519   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108    0.1519   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -1.9984    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987   -1.9985    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    2.5820    1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    2.6296   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8528    2.6300   -0.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -3.1701    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081    1.6997    0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    1.6997    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5524    0.7992   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5524    0.7990   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 24  1  0  0  0  0
  2 15  1  0  0  0  0
  2 25  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 512👍, 0💬