25181201
  -OEChem-05092404302D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5443   -0.8163    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9884    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    1.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -0.0116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5910   -1.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -2.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -2.0537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    1.4104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379    2.2574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910    2.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25181201

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
364

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIQBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHwQAQAAADAiB2AgywYIAAACIAiVSUACCABAlAgAIiBkAZMgIIDLAlZGEIQhghADIyYcYiACOQAAAQAAGAACAAACAAAwAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one

> <PUBCHEM_IUPAC_NAME>
2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,5-dimethylphenyl)-5-fluoranyl-1,2-benzothiazol-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-8-11(16)5-6-14(12)19-17/h3-8H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KVSHNLSLZGDCNM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
273.06236334

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12FNOS

> <PUBCHEM_MOLECULAR_WEIGHT>
273.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=CC(=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=CC(=C3)F

> <PUBCHEM_CACTVS_TPSA>
45.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.06236334

> <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>
1  4  8
1  8  8
10  11  8
11  13  8
12  13  8
14  18  8
16  19  8
18  19  8
4  9  8
5  10  8
5  6  8
6  12  8
7  14  8
7  8  8
7  9  8
8  16  8

$$$$