Mrv1572004191602032D          

  9  6  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  8  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  6  2  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   5  -1
M  END
> <DATABASE_ID>
CHEM007512

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2

> <INCHI_KEY>
HRZFUMHJMZEROT-UHFFFAOYSA-L

> <FORMULA>
Na2O5S2

> <MOLECULAR_WEIGHT>
190.09

> <EXACT_MASS>
189.89825401

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
9.1396310010904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium sulfinatosulfonate

> <JCHEM_LOGP>
-1.5739199449999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.000008242382864

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.721735648577302

> <JCHEM_POLAR_SURFACE_AREA>
97.32999999999998

> <JCHEM_REFRACTIVITY>
18.7261

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium metabisulfite

> <JCHEM_VEBER_RULE>
0

> <NAME>
SODIUM METABISULFITE

> <CAS>
7681-57-4

> <SYNONYMS>
Disodium disulphite; Disulfurous acid, disodium salt; Sodium disulfite

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