Mrv0541 08221314182D          

 10  6  0  0  0  0            999 V2000
    0.0000    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8839    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1786    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.3536    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3536    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8286    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018   -2.8286    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  7  1  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  2  0  0  0  0
M  CHG  6   3  -1   4  -1   5  -1   8   1   9   1  10   1
M  END
> <DATABASE_ID>
DBSALT000200

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3

> <INCHI_KEY>
DFHAXXVZCFXGOQ-UHFFFAOYSA-K

> <FORMULA>
CNa3O5P

> <MOLECULAR_WEIGHT>
191.9508

> <EXACT_MASS>
191.917643647

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.0258066830991783

> <JCHEM_AVERAGE_POLARIZABILITY>
6.830190455727949

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trisodium phosphonatoformate

> <ALOGPS_LOGP>
-0.31

> <JCHEM_LOGP>
-0.8303841046666666

> <ALOGPS_LOGS>
-0.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.497768602888783

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.0956752196313019

> <JCHEM_POLAR_SURFACE_AREA>
103.32

> <JCHEM_REFRACTIVITY>
27.666800000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.69e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000200

> <NAME>
Foscarnet sodium

> <DRUG_DRUGBANK_ID>
DB00529

> <DRUG_NAME>
Foscarnet

> <CAS_NUMBER>
63585-09-1

> <UNII>
8C5OQ81LWT

$$$$