58752105
  -OEChem-04252405562D

 22 23  0     0  0  0  0  0  0999 V2000
    2.0000    0.8692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  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
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58752105

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
290

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMQAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHwAACAAADAyBmAwywIMAAgCIAiVSUACCAAAhIgAIiAAIbMgIJiLAkZGEcAhmxgHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-fluoro-4-hydroxy-1-methyl-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-fluoro-4-hydroxy-1-methyl-2-quinolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-fluoro-4-hydroxy-1-methylquinolin-2-one

> <PUBCHEM_IUPAC_NAME>
6-fluoro-4-hydroxy-1-methylquinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-fluoranyl-1-methyl-4-oxidanyl-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-fluoro-4-hydroxy-1-methyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8FNO2/c1-12-8-3-2-6(11)4-7(8)9(13)5-10(12)14/h2-5,13H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
BUVRGEQJCPXTKX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
193.05390666

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8FNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
193.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=C(C=C2)F)C(=CC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=C(C=C2)F)C(=CC1=O)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.05390666

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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
13  14  8
4  5  8
4  9  8
5  6  8
5  8  8
6  10  8
6  7  8
7  11  8
8  13  8
9  11  8

$$$$