59734216
  -OEChem-05102419392D

 33 35  0     0  0  0  0  0  0999 V2000
    5.5321   -1.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977   -1.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -1.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376   -1.0874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59734216

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
423

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADAiBmAgywILAAACoAyVyVACCAAAhAgAIiAEgdJgIYLLAlZGUIAhglADIyAcYiMCOAAACQAACACAAAASAAAQAQAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-fluoro-3-methylphenyl)-5-methyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-fluoro-3-methylphenyl)-5-methyl-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2-fluoro-3-methylphenyl)-5-methyl-1H-quinoxalin-2-one

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13FN2O/c1-9-5-3-7-11(13(9)17)15-16(20)18-12-8-4-6-10(2)14(12)19-15/h3-8H,1-2H3,(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
BCZQYJQKWSBGBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
268.10119120

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
268.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=CC=C1)NC(=O)C(=N2)C3=CC=CC(=C3F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=CC=C1)NC(=O)C(=N2)C3=CC=CC(=C3F)C

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.10119120

> <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>
11  16  8
12  14  8
13  16  8
14  18  8
15  19  8
18  19  8
3  10  8
3  6  8
4  5  8
4  7  8
5  6  8
5  8  8
6  11  8
7  10  8
8  13  8
9  12  8
9  15  8

$$$$