Mrv1652306131722052D          

  5  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.7125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1  -2   2  -2   3  -2   4   3   5   3
M  END
> <DATABASE_ID>
DB11342

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
PNEYBMLMFCGWSK-UHFFFAOYSA-N

> <FORMULA>
Al2O3

> <MOLECULAR_WEIGHT>
101.96

> <EXACT_MASS>
101.9478209

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
0.9475908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) ion trioxidandiide

> <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>
13.1149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) ion trioxidandiide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11342

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Aluminum oxide

> <SYNONYMS>
Aluminium oxide

> <PRODUCTS>
Brasivol Fine; Brasivol Medium; Vfb Bio Peel

$$$$