Mrv0541 02241205202D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -1.6500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
T3D1504

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Al.3H2O.3H/h;3*1H2;;;

> <INCHI_KEY>
RREGISFBPQOLTM-UHFFFAOYSA-N

> <FORMULA>
AlH6O3

> <MOLECULAR_WEIGHT>
81.0274

> <EXACT_MASS>
81.013232499

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.5082203897359623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
alumane trihydrate

> <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>
25.3

> <JCHEM_REFRACTIVITY>
3.7

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
alumane trihydrate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1504

> <NAME>
Aluminium hydroxide

> <CAS>
21645-51-2

> <SYNONYMS>
Alterna gel; Alternagel; Alugelibye; Alumigel; Alumina trihydrate; aluminium(3+) hydroxide; Aluminium(III) hydroxide; Aluminiumhydroxid; Aluminum hydroxide; Aluminum hydroxide gel; Aluminum hydroxide, dried; Aluminum oxide hydrated; Aluminum oxide trihydrate; Aluminum trihydroxide; Aluminum(III) hydroxide; Alusal; Amberol ST 140F; Amorphous alumina; Amphogel; Amphojel; Antipollon HT; Apyral; Boehmite; British aluminum AF 260; Calcitrel; Calmogastrin; Camalox; Di-gel liquid; Di-mu-hydroxytetrahydroxydialuminum; Dialume; Gelusil; Higilite; Hydroxyde d' aluminium; Kudrox; Liquigel; Maalox; Maalox HRF; Maalox plus; Mylanta; Tricreamalate; Trihydrated alumina; Trihydroxidoaluminium; Trihydroxyaluminum; Trisogel; Wingel

> <TYPES>
Inorganic Compound; Aluminum Compound; Drug; Food Toxin; Household Toxin; Synthetic Compound

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