Mrv0541 02241205362D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Be  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
T3D0650

> <DATABASE_NAME>
t3db

> <SMILES>
[Be++].OP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/Be.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2

> <INCHI_KEY>
XUYHBCPJXPJTCK-UHFFFAOYSA-L

> <FORMULA>
BeHO4P

> <MOLECULAR_WEIGHT>
104.9915

> <EXACT_MASS>
104.973427167

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.234864454522943

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
beryllium(2+) ion hydrogen phosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
83.41999999999999

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
beryllium(2+) ion hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0650

> <NAME>
Beryllium phosphate

> <CAS>
13598-15-7

> <SYNONYMS>
BeHPO4; Beryllium hydrogen phosphate; Beryllium phosphic acid; Phosphorous acid, beryllium salt

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

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