Mrv1718007121816022D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 In  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   3
M  ISO  1   1 111
M  END
> <DATABASE_ID>
DB14535

> <DATABASE_NAME>
drugbank

> <SMILES>
[111In+3]

> <INCHI_IDENTIFIER>
InChI=1S/In/q+3/i1-4

> <INCHI_KEY>
RJMMFJHMVBOLGY-AHCXROLUSA-N

> <FORMULA>
In

> <MOLECULAR_WEIGHT>
110.9035

> <EXACT_MASS>
110.903464937

> <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>
(111In)indium(3+) ion

> <JCHEM_LOGP>
0.0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
1.2

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.11

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(111In)indium(3+) ion

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14535

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Indium cation In-111

> <SYNONYMS>
Indium (111In) cation; Indium cation In 111; Indium cation In-111 (3+); Indium In-111 cation; Indium-111 cation; Indium, ion (In3+) In-111

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