Mrv0541 10141414142D          

  3  0  0  0  0  0            999 V2000
    1.2374   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9519   -1.2778    0.0000 Be  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
T3D0646

> <DATABASE_NAME>
t3db

> <SMILES>
[Be++].[OH-].[OH-]

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

> <INCHI_KEY>
WPJWIROQQFWMMK-UHFFFAOYSA-L

> <FORMULA>
BeH2O2

> <MOLECULAR_WEIGHT>
43.0269

> <EXACT_MASS>
43.017661443

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
1.1909242651253518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
beryllium(2+) ion dihydroxide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.914900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
beryllium(2+) ion dihydroxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0646

> <NAME>
Beryllium hydroxide

> <CAS>
13327-32-7

> <SYNONYMS>
Beryllium dihydroxide; Beryllium hydrate; beryllium(2+) hydroxide; Beryllium(II) hydroxide; Hydrated beryllia

> <TYPES>
Inorganic Compound; Beryllium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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