Mrv0541 02231219532D          

  1  0  0  0  0  0            999 V2000
    8.5025  -12.0967    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
T3D0109

> <DATABASE_NAME>
t3db

> <SMILES>
[Ba++]

> <INCHI_IDENTIFIER>
InChI=1S/Ba/q+2

> <INCHI_KEY>
XDFCIPNJCBUZJN-UHFFFAOYSA-N

> <FORMULA>
Ba

> <MOLECULAR_WEIGHT>
137.327

> <EXACT_MASS>
137.905241273

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion

> <JCHEM_LOGP>
-0.2

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0109

> <NAME>
Barium

> <CAS>
7440-39-3

> <SYNONYMS>
Ba(2+); Ba2+; Barium ion; Barium(2+); Barium(2+) ion; Barium(II); Barium(II) cation; Barium(II) ion

> <TYPES>
Inorganic Compound; Metal; Barium Compound; Food Toxin; Metabolite; Industrial/Workplace Toxin; Natural Compound

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