70698660
  -OEChem-05092402562D

 21 23  0     0  0  0  0  0  0999 V2000
    7.0479    2.2605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    2.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    1.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -1.6787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2754    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698660

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
286

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzIQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFixwAAAHwAQAAAACAjBlgw90JfMEACoATV3dACCgC03EqAJ2AG4dMiIaGrA2bGUIIholALIyOcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-fluoro-5<I>H</I>-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME>
7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-fluoranyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6FN3O/c11-6-1-2-8-7(3-6)13-10(15)9-4-12-5-14(8)9/h1-5H,(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
OEODIIDYUUWNCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
203.04948999

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
203.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1F)NC(=O)C3=CN=CN23

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1F)NC(=O)C3=CN=CN23

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
203.04948999

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

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

$$$$