Mrv0541 02241205042D          

  2  1  0  0  0  0            999 V2000
    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 Ba  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1117

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Ba]

> <INCHI_IDENTIFIER>
InChI=1S/Ba.O

> <INCHI_KEY>
QVQLCTNNEUAWMS-UHFFFAOYSA-N

> <FORMULA>
BaO

> <MOLECULAR_WEIGHT>
153.326

> <EXACT_MASS>
153.900155895

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8789761653518973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxobarium

> <JCHEM_LOGP>
-0.5514

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.2139958915076362

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
1.4429

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1117

> <NAME>
Barium oxide

> <CAS>
1304-28-5

> <SYNONYMS>
BAO; Barium oxide (bao); Barium oxide, bao; Barium oxide, obtained BY calcining witherite; Barium protoxide; Barsito; Baryta; Calcined barsito; Calcined baryta; Oxyde de baryum

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

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