Mrv1718004251818312D          

  5  3  0  0  0  0            999 V2000
   -0.7145    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.6187    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  2   3  -1   4   1
M  END
> <DATABASE_ID>
DB14015

> <DATABASE_NAME>
drugbank

> <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_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.434346700909666

> <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>
7.30102999566398

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6989700043360187

> <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

> <DRUGBANK_ID>
DB14015

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sodium bisulfite

> <SYNONYMS>
Bisulfite de sodium; Natriumbisulfit; Natriumhydrogensulfit; primäres Natriumsulfit; saures Natriumsulfit; Sodium bisulfite; sodium bisulphite; sodium hydrogen sulfite; sodium hydrogensulfite

> <PRODUCTS>
Nephramine Liq IV

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