394144
  -OEChem-05102423462D

 30 32  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
    7.2622   -0.1900    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
    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
    7.2622    0.8100    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   -2.2247    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
    8.1282    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.3100    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    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4742   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8728   -0.0823    0.0000 H   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
    8.6651    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
394144

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
407

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADAiBmAgwwILAAACoAyVyVACCAAAhAgAIiAEwdIgIYDLAkZGUIAhglADIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

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

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

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

> <PUBCHEM_IUPAC_NAME>
3-benzyl-6,7-difluoro-1H-quinoxalin-2-one

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10F2N2O/c16-10-7-12-13(8-11(10)17)19-15(20)14(18-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
VWVDZHVMNRXKLW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
272.07611927

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
272.25

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

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

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.07611927

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

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

$$$$