Mrv1718011221711512D          

  5  3  0  0  0  0            999 V2000
    1.8304   -0.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -0.1326    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    0.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304   -0.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -0.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002587

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O[Al](O)O

> <INCHI_IDENTIFIER>
InChI=1S/Al.4H2O/h;4*1H2/q+3;;;;/p-3

> <INCHI_KEY>
SMYKVLBUSSNXMV-UHFFFAOYSA-K

> <FORMULA>
AlH5O4

> <MOLECULAR_WEIGHT>
96.018

> <EXACT_MASS>
96.0003221

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
5.60243342238086

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
alumanetriol hydrate

> <JCHEM_LOGP>
-1.3585999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.99712457733552

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.99712457733552

> <JCHEM_PKA_STRONGEST_BASIC>
-1.010736455153781

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
7.6937999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium hydroxide hydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002587

> <NAME>
Algeldrate

> <DRUG_DRUGBANK_ID>
DB06723

> <DRUG_NAME>
Aluminum hydroxide

> <CAS_NUMBER>
1330-44-5

> <UNII>
03J11K103C

$$$$