Structure #1
  Mrv0541 02241207192D          

 12  9  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -3.1895    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004710

> <DATABASE_NAME>
chemdb

> <SMILES>
N.N.OS(=O)(=O)OOS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)

> <INCHI_KEY>
ROOXNKNUYICQNP-UHFFFAOYSA-N

> <FORMULA>
H8N2O8S2

> <MOLECULAR_WEIGHT>
228.202

> <EXACT_MASS>
227.972206622

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
12.321383141228054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
O-[(sulfoperoxy)sulfonyl]oxidanol diamine

> <JCHEM_LOGP>
-0.9336957733333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
-2.7744508010456945

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.475241414284997

> <JCHEM_POLAR_SURFACE_AREA>
127.19999999999999

> <JCHEM_REFRACTIVITY>
25.112800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
peroxydisulfuric acid diamine

> <JCHEM_VEBER_RULE>
0

> <NAME>
AMMONIUM PERSULFATE

> <CAS>
7727-54-0

> <SYNONYMS>
Ammonium peroxydisulfate; Diammonium peroxydisulfate

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