Mrv0541 02241216312D          

  4  0  0  0  0  0            999 V2000
  -98.4898    2.5253    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   98.4898   -2.5253    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   47.9823   -2.5253    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5253   -2.5253    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   3   2  -1   3  -1   4  -1
M  END
> <DATABASE_ID>
FDB013295

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3

> <INCHI_KEY>
WNROFYMDJYEPJX-UHFFFAOYSA-K

> <FORMULA>
AlH3O3

> <MOLECULAR_WEIGHT>
78.0036

> <EXACT_MASS>
77.989757403

> <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 trihydroxide

> <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 trihydroxide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013295

> <GENERIC_NAME>
Aluminium hydroxide

$$$$