54166762
  -OEChem-05122420042D

 31 33  0     0  0  0  0  0  0999 V2000
    2.0000   -2.2142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1658    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  3  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54166762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADAiBmAgwwILAAACoAyVyVACCAAAhAgAIiAEQdJgIYCLAkZGUIAhglADIyAcQgAAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-difluoro-3-styryl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-difluoro-3-(2-phenylethenyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-difluoro-3-(2-phenylethenyl)-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
6,7-difluoro-3-(2-phenylethenyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-bis(fluoranyl)-3-(2-phenylethenyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-difluoro-3-styryl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10F2N2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
OSEDWTOQCPDLMC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
284.07611927

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
284.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C=CC2=NC3=CC(=C(C=C3NC2=O)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C=CC2=NC3=CC(=C(C=C3NC2=O)F)F

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.07611927

> <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>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  16  1
13  14  8
15  17  8
15  18  8
17  19  8
18  20  8
19  21  8
20  21  8
4  10  8
4  6  8
5  7  8
5  8  8
6  7  8
6  9  8
7  11  8
8  10  8
9  13  8

$$$$