Mrv0541 08261423172D          

  3  1  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339    0.0000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000664

> <DATABASE_NAME>
chemdb

> <SMILES>
[Zn].OO

> <INCHI_IDENTIFIER>
InChI=1S/H2O2.Zn/c1-2;/h1-2H;

> <INCHI_KEY>
DLINORNFHVEIFE-UHFFFAOYSA-N

> <FORMULA>
H2O2Zn

> <MOLECULAR_WEIGHT>
99.424

> <EXACT_MASS>
97.934625886

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
2.291055697453342

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
peroxol zinc

> <JCHEM_LOGP>
-0.447202414

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.397218846455527

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.520607090216412

> <JCHEM_PKA_STRONGEST_BASIC>
-4.189015938635916

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
5.1292

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen peroxide zinc

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0737

> <NAME>
Zinc peroxide

> <CAS>
1314-22-3

> <SYNONYMS>
Zinc bioxide; Zinc dioxide; Zinc peroxide, medicinal; Zinc superoxide; ZnO2; ZPO

> <TYPES>
Inorganic Compound; Zinc Compound; Lachrymator; Industrial/Workplace Toxin; Synthetic Compound

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