Mrv0541 02241205182D          

  7  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
    1.1196    0.0000    0.0000 Be  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  6   1   2   2   2   3  -1   5  -1   6  -1   7  -1
M  END
> <DATABASE_ID>
T3D1375

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Be.O4Si/c;;1-5(2,3)4/q2*+2;-4

> <INCHI_KEY>
QZVSYHUREAVHQG-UHFFFAOYSA-N

> <FORMULA>
Be2O4Si

> <MOLECULAR_WEIGHT>
110.1075

> <EXACT_MASS>
109.980949291

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.1392162103982955

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diberyllium(2+) ion silicate

> <JCHEM_LOGP>
-2.6008

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.358981612572368

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.822075785408108

> <JCHEM_PKA_STRONGEST_BASIC>
-4.800283011255641

> <JCHEM_POLAR_SURFACE_AREA>
92.24

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diberyllium(2+) ion orthosilicate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1375

> <NAME>
Beryllium silicate

> <CAS>
13598-00-0

> <SYNONYMS>
Beryllium orthosilicate; Beryllium salicate; Beryllium silicic acid; Beryllium silicon oxide (Be2SiO4); Diberyllium monosilicate; Phenacite; Phenakite; Phenakite (Be2SiO4); Silicic acid, beryllium salt

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

$$$$