Mrv0541 02241216392D          

  4  0  0  0  0  0            999 V2000
  -34.4714  -68.9429    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
  -34.4714    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  -34.4714   68.9429    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   34.4714   68.9429    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   3   2   1   3  -2   4  -2
M  END
> <DATABASE_ID>
FDB015292

> <DATABASE_NAME>
foodb

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

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

> <INCHI_KEY>
ANBBXQWFNXMHLD-UHFFFAOYSA-N

> <FORMULA>
AlNaO2

> <MOLECULAR_WEIGHT>
81.9701

> <EXACT_MASS>
81.96113736

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) ion sodium dioxidandiide

> <JCHEM_LOGP>
1.4499999999999997

> <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

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium(3+) ion sodium dioxidandiide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015292

> <GENERIC_NAME>
Sodium aluminium oxide (NaAlO2)

$$$$