756156
  -OEChem-04252421182D

 27 29  0     0  0  0  0  0  0999 V2000
    3.1191   -1.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -0.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602   -0.2997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    0.6514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -2.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -2.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -3.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541   -2.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    2.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482   -3.6974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541   -3.6974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    2.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    3.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -4.5075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
756156

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
297

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIIAAAADAKBmiAwAIAABECqAiFyEACSAAAsBQAaiCEgDtgIJrKBtxmKMQBkyAEIrYeYyCCOBAAAAAABAAAIAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_NAME>
2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H8Cl2N2O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H

> <PUBCHEM_IUPAC_INCHIKEY>
LLQDLOAMOQIOGT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
290.0013683

> <PUBCHEM_MOLECULAR_FORMULA>
C14H8Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
291.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
38.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.0013683

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  18  8
16  19  8
17  19  8
3  8  8
3  9  8
4  5  8
4  8  8
5  9  8
6  10  8
6  11  8
7  12  8
7  13  8

$$$$