Mrv1909 11262018432D          

  5  3  0  0  0  0            999 V2000
   -1.0822    0.0103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9292    0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -0.7087    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6638    0.7087    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.0830    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  CHG  4   1   1   3  -1   4  -1   5   1
M  END
> <DATABASE_ID>
DB15952

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1

> <INCHI_KEY>
VWDWKYIASSYTQR-UHFFFAOYSA-N

> <FORMULA>
NNaO3

> <MOLECULAR_WEIGHT>
84.994

> <EXACT_MASS>
84.97758714

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
3.275441232355818

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium nitrate

> <JCHEM_LOGP>
0.8368003898615884

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_BASIC>
-9.93762264919614

> <JCHEM_POLAR_SURFACE_AREA>
66.2

> <JCHEM_REFRACTIVITY>
8.3471

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium nitrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15952

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Sodium nitrate

> <SYNONYMS>
Chile saltpeter; Cubic niter; Soda niter

$$$$