Mrv0541 02241220142D          

  5  3  0  0  0  0            999 V2000
   -0.9483   -1.2783    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.1233    1.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008    0.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233    0.4533    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.4533    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END
> <DATABASE_ID>
FDB015420

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1

> <INCHI_KEY>
DWAQJAXMDSEUJJ-UHFFFAOYSA-M

> <FORMULA>
HNaO3S

> <MOLECULAR_WEIGHT>
104.061

> <EXACT_MASS>
103.954409263

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.4329292510120055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium hydrogen sulfite

> <JCHEM_LOGP>
-1.1546872626666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.916909462941165

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.6693460536121636

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
11.2062

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium bisulfite

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB015420

> <GENERIC_NAME>
Sodium hydrogen sulfite

$$$$