Mrv0541 02241205042D          

  3  1  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
T3D1120

> <DATABASE_NAME>
t3db

> <SMILES>
[Ba++].[O-][O-]

> <INCHI_IDENTIFIER>
InChI=1S/Ba.O2/c;1-2/q+2;-2

> <INCHI_KEY>
ZJRXSAYFZMGQFP-UHFFFAOYSA-N

> <FORMULA>
BaO2

> <MOLECULAR_WEIGHT>
169.326

> <EXACT_MASS>
169.895070517

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.6723109476406521

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion dioxidanediide

> <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>
46.12

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion peroxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1120

> <NAME>
Barium peroxide

> <CAS>
1304-29-6

> <SYNONYMS>
Ba(O2); Bario; Barium binoxide; Barium dioxide; Barium peroxide (Ba(O2)); Barium superoxide; Bariumperoxid; Bariumperoxyde; Dioxyde de baryum; Peroxyde de baryum

> <TYPES>
Inorganic Compound; Barium Compound; Industrial/Workplace Toxin; Synthetic Compound

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