Mrv1572004191602322D          

  6  4  0  0  0  0            999 V2000
    1.6500    1.4289    0.0000 K   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
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    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  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
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
CHEM008968

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/K.H2O4S/c;1-4-5(2)3/h;1H,(H,2,3)/q+1;/p-1

> <INCHI_KEY>
GZHFEBOLZPYNER-UHFFFAOYSA-M

> <FORMULA>
HKO4S

> <MOLECULAR_WEIGHT>
136.16

> <EXACT_MASS>
135.92326118

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
6.22737942522126

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium oxidanesulfiniperoxoate

> <JCHEM_LOGP>
-0.9686370266666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.591892069099729

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9999905307357677

> <JCHEM_PKA_STRONGEST_BASIC>
-6.446075934513272

> <JCHEM_POLAR_SURFACE_AREA>
69.59

> <JCHEM_REFRACTIVITY>
12.5564

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
potassium oxidanesulfiniperoxoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Peroxymonosulfuric acid, monopotassium salt

> <CAS>
10058-23-8

$$$$