Mrv1572004251606232D          

  9  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    6.8946    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    6.0696    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1   3   2   3   3  -2   4  -2   5  -2   6  -2   7  -2   8   2
M  CHG  1   9   2
M  END
> <DATABASE_ID>
CHEM009601

> <DATABASE_NAME>
chemdb

> <SMILES>
[O--].[O--].[O--].[O--].[O--].[Al+3].[Al+3].[Zn++].[Zn++]

> <INCHI_IDENTIFIER>
InChI=1S/2Al.5O.2Zn/q2*+3;5*-2;2*+2

> <INCHI_KEY>
JAONJTDQXUSBGG-UHFFFAOYSA-N

> <FORMULA>
Al2O5Zn2

> <MOLECULAR_WEIGHT>
264.72

> <EXACT_MASS>
261.795934

> <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>
dialuminium(3+) ion dizinc(2+) ion pentaoxidandiide

> <JCHEM_LOGP>
1.4499999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
4.49

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.07

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) ion dizinc(2+) ion pentaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Aluminum zinc oxide (Al2ZnO4)

> <CAS>
12068-53-0

$$$$