60791404
  -OEChem-05142403202D

 24 26  0     1  0  0  0  0  0999 V2000
    5.5443   -0.1887    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.6160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9939    0.1160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9939    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    0.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5555   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    1.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    1.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60791404

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMQBAAAAAAAAAAAAAGAAAAWAAAAAwAAAAAAAAAFgB8AAAHwQACAAADQiB1ggwybIIEgisASTyTACD8KBhCjhImD0wZJgIILLgkZGEYAhkgADoyAe8EQIIAAAAAAAAAQAAAAAAAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-fluoro-1,3-benzothiazol-2-yl)-1-cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-fluoranyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8FNO2S/c12-5-1-2-9-8(3-5)13-10(16-9)6-4-7(6)11(14)15/h1-3,6-7H,4H2,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
PRZWPQFONHBLBX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
237.02597783

> <PUBCHEM_MOLECULAR_FORMULA>
C11H8FNO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
237.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C1C(=O)O)C2=NC3=C(S2)C=CC(=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(C1C(=O)O)C2=NC3=C(S2)C=CC(=C3)F

> <PUBCHEM_CACTVS_TPSA>
78.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
237.02597783

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
1  12  8
1  9  8
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
5  11  8
5  9  8
6  9  3
7  10  3

$$$$