Mrv0541 08251413512D          

  8  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Al  0  3  0  0  0  0  0  0  0  0  0  0
    3.1232   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3607    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5357    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  3  2  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
M  CHG  4   1   1   2   1   4  -1   5  -1
M  END
> <DATABASE_ID>
T3D1521

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Al.O3Si.2H2O/c;;1-4(2)3;;/h;;;2*1H2/q2*+1;-2;;

> <INCHI_KEY>
GMUMVDQEWJBRKI-UHFFFAOYSA-N

> <FORMULA>
Al2H4O5Si

> <MOLECULAR_WEIGHT>
166.0773

> <EXACT_MASS>
165.945876653

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
4.217826221245687

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(λ¹-alumanylium) oxosilanebis(olate) dihydrate

> <JCHEM_LOGP>
-1.3787999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6989700043360183

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
4.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bis(λ¹-alumanylium) oxosilanebis(olate) dihydrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1521

> <NAME>
Aluminium silicate

> <CAS>
1335-30-4

> <SYNONYMS>
Al2SiO5; Aluminium silicate

> <TYPES>
Inorganic Compound; Metalloid; Aluminum Compound; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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