36678
  -OEChem-01182414573D

 28 29  0     1  0  0  0  0  0999 V2000
   -2.4053    0.0605    2.5542 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1660    1.4306   -0.2506 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -3.1630    0.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950   -2.5141   -1.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445   -0.8440    0.4467 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0243   -0.2780    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4576    0.1131   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    0.5935    1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840   -0.6209   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015    0.5466    0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523    0.4976   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508   -2.2359   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    1.1225    1.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646   -0.0921   -1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3986    1.4146    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    1.3655   -1.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5855    0.7797   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225    1.8239   -0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4376   -1.0569    1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    0.8699    2.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029   -1.2883   -1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129    0.1458   -2.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2189    1.8004    1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446   -0.3663   -1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1645    1.7807    1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697    1.6825   -2.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992    2.4990   -1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1287   -4.0561    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03762

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DHPZADPFGZNIIV-UHFFFAOYSA-N/SDF?record_type=3d

> <SMILES>
OC(=O)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C14H10Cl2O2/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H,(H,17,18)

> <INCHI_KEY>
DHPZADPFGZNIIV-UHFFFAOYSA-N

> <FORMULA>
C14H10Cl2O2

> <MOLECULAR_WEIGHT>
281.13

> <EXACT_MASS>
280.005785

$$$$