492405
  -OEChem-12041918283D

 15 15  0     0  0  0  0  0  0999 V2000
    2.6924    1.6377   -0.0017 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0192   -2.1677    0.0071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032    0.8017    1.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -1.6108   -0.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419    1.0594    0.0219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023    0.8152   -1.1973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657    0.1294    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1165   -1.3449    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574   -0.6077   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535    0.6653    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725    0.6225    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608   -2.5721   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1981   -0.9025   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    1.1487   -1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742    0.6352   -2.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB12466

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZCGNOVWYSGBHAU-UHFFFAOYSA-N/SDF?record_type=3d

> <SMILES>
NC(=O)C1=NC(F)=CN=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)

> <INCHI_KEY>
ZCGNOVWYSGBHAU-UHFFFAOYSA-N

> <FORMULA>
C5H4FN3O2

> <MOLECULAR_WEIGHT>
157.104

> <EXACT_MASS>
157.028754544

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
12.123878906367722

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-fluoro-3-hydroxypyrazine-2-carboxamide

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
0.25191639600000004

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.579307723139335

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.39401731404919

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6791532864267253

> <JCHEM_POLAR_SURFACE_AREA>
89.1

> <JCHEM_REFRACTIVITY>
33.9761

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$