44225636
  -OEChem-05032416422D

 33 35  0     0  0  0  0  0  0999 V2000
    7.2641   -1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44225636

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
440

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAAAAAADAjBmAwywIMAAACoAyVyVACCAAAhAgAIiAEodJgIYLLAlZGUIAhghgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2,5-difluorophenyl)-1-ethyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2,5-difluorophenyl)-1-ethyl-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2,5-difluorophenyl)-1-ethylquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2,5-difluorophenyl)-1-ethylquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2,5-bis(fluoranyl)phenyl]-1-ethyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2,5-difluorophenyl)-1-ethyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12F2N2O/c1-2-20-14-6-4-3-5-13(14)19-15(16(20)21)11-9-10(17)7-8-12(11)18/h3-9H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FZNMPMZIVJFXGJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
286.09176933

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C2=CC=CC=C2N=C(C1=O)C3=C(C=CC(=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C2=CC=CC=C2N=C(C1=O)C3=C(C=CC(=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.09176933

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$