4031879
  -OEChem-04162401232D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000    0.2742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 14 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  1  0  0  0  0
 16 20  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4031879

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
429

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADAiBmAgwwILAAACoAyVyVACCAAAhAgAIiAEgdJgIYLLAlZGUIAhglADIyAcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-amino-5-fluoro-phenyl)-6-fluoro-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-amino-5-fluorophenyl)-6-fluoro-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-amino-5-fluorophenyl)-6-fluoro-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2-amino-5-fluorophenyl)-6-fluoro-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-azanyl-5-fluoranyl-phenyl)-6-fluoranyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-amino-5-fluoro-phenyl)-6-fluoro-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H9F2N3O/c15-7-1-3-10(17)9(5-7)13-14(20)19-11-4-2-8(16)6-12(11)18-13/h1-6H,17H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
OZPFADYEQGNEFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
273.07136824

> <PUBCHEM_MOLECULAR_FORMULA>
C14H9F2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
273.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1F)C2=NC3=C(C=CC(=C3)F)NC2=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1F)C2=NC3=C(C=CC(=C3)F)NC2=O)N

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.07136824

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

$$$$