Mrv1718007121812462D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   3
M  END
> <DATABASE_ID>
DB14519

> <DATABASE_NAME>
drugbank

> <SMILES>
[Al+3]

> <INCHI_IDENTIFIER>
InChI=1S/Al/q+3

> <INCHI_KEY>
REDXJYDRNCIFBQ-UHFFFAOYSA-N

> <FORMULA>
Al

> <MOLECULAR_WEIGHT>
26.9815

> <EXACT_MASS>
26.981538441

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) ion

> <JCHEM_LOGP>
1.4499999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
4.49

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.07

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium(3+) ion

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14519

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Aluminum cation

> <SYNONYMS>
Aluminium, ion (Al3+); Aluminum(3+); Aluminum(III); Aluminum(III) ion; Alumunum ion

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