11219835
  -OEChem-05122413452D

 30 32  0     0  0  0  0  0  0999 V2000
    7.0871    1.4496    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    2.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    3.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    3.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    4.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    3.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848    3.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147    4.7566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259    4.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 30  1  0  0  0  0
  4 21  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11219835

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
382

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAECAAADACBmwgxGIYYEgCpAiPyPgCCgAkkAKApiCEgDNiILrKAnRGEcQhkxQOImYeY2WKOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

> <PUBCHEM_IUPAC_NAME>
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
OOUGLTULBSNHNF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
284.05972032

> <PUBCHEM_MOLECULAR_FORMULA>
C15H9FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
284.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F

> <PUBCHEM_CACTVS_TPSA>
76.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.05972032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
11  12  8
12  14  8
13  15  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
2  10  8
2  6  8
5  10  8
5  8  8
6  8  8
7  11  8
7  13  8
9  16  8
9  17  8

$$$$