Mrv1572004251606292D          

  5  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
    2.2982    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
CHEM009667

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/Ba.Mn.3H2O/h;;3*1H2/q+2;;;;/p-2

> <INCHI_KEY>
VDZIZSKAJUBXTG-UHFFFAOYSA-L

> <FORMULA>
BaH4MnO3

> <MOLECULAR_WEIGHT>
244.294

> <EXACT_MASS>
244.859335

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion hydrate manganese dihydroxide

> <JCHEM_LOGP>
-0.2

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion hydrate manganese dihydroxide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Barium(2+);dioxido(oxo)manganese

> <CAS>
12230-80-7

$$$$