Mrv1909 11272117192D          

 10  9  0  0  0  0            999 V2000
   -0.1881    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411    0.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898    0.0089    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2104    1.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427   -0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    0.4302    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -1.2319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -1.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.7600    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  2   3  -1  10   1
M  END
> <DATABASE_ID>
DBSALT003208

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].FC1=CNC(=O)[N-]C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H3FN2O2.Na/c5-2-1-6-4(9)7-3(2)8;/h1H,(H2,6,7,8,9);/q;+1/p-1

> <INCHI_KEY>
XLBUSGPKSVRQSF-UHFFFAOYSA-M

> <FORMULA>
C4H2FN2NaO2

> <MOLECULAR_WEIGHT>
152.06

> <EXACT_MASS>
151.99979976

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.40012700331500595

> <JCHEM_AVERAGE_POLARIZABILITY>
9.085670963685484

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ide

> <ALOGPS_LOGP>
-0.79

> <JCHEM_LOGP>
-0.6558480899999999

> <ALOGPS_LOGS>
-0.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.009826118281222

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.17587932808474

> <JCHEM_PKA_STRONGEST_BASIC>
-7.973676798194867

> <JCHEM_POLAR_SURFACE_AREA>
55.4

> <JCHEM_REFRACTIVITY>
25.372200000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.15e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(1R)-1-[(4R,5R)-4,5-bis[(1R)-1,2-dihydroxyethyl]-1,3,2-dioxaborolan-2-yl]-3-methylbutyl]-3-phenyl-2-(pyrazin-2-ylformamido)propanamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003208

> <NAME>
Fluorouracil sodium

> <DRUG_DRUGBANK_ID>
DB00544

> <DRUG_NAME>
Fluorouracil

> <CAS_NUMBER>
14787-18-9

> <UNII>
PM476L7O8G

$$$$