Mrv1909 09162016312D          

  9  6  0  0  0  0            999 V2000
    0.3487    0.0033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797    0.0033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3382   -0.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3382    0.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737    0.0033    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3050    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797    0.8216    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0413    0.0172    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0413    0.0517    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
M  CHG  4   5  -1   7  -1   8   1   9   1
M  END
> <DATABASE_ID>
DB15841

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
RWPGFSMJFRPDDP-UHFFFAOYSA-L

> <FORMULA>
K2O5S2

> <MOLECULAR_WEIGHT>
222.31

> <EXACT_MASS>
221.84612843

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.999989999910213

> <JCHEM_AVERAGE_POLARIZABILITY>
9.141306120424002

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dipotassium sulfinatosulfonate

> <JCHEM_LOGP>
-1.5739199449999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.000008242382864

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.7217356485773

> <JCHEM_POLAR_SURFACE_AREA>
97.33000000000001

> <JCHEM_REFRACTIVITY>
18.726100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
unii-71TH42O2CQ

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15841

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Potassium metabisulfite

> <SYNONYMS>
Potassium disulfite; Potassium metabisulfite; Potassium metabisulphite; Potassium pentaoxodisulfate; Potassium pyrosulfite

$$$$