Mrv1572004201601592D          

  4  3  0  0  0  0            999 V2000
    0.6187    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.0000    0.0000 In  0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  ISO  1   2 111
M  END
> <DATABASE_ID>
DB09490

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl[111In](Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.In/h3*1H;/q;;;+3/p-3/i;;;1-4

> <INCHI_KEY>
PSCMQHVBLHHWTO-FZTWWWDYSA-K

> <FORMULA>
Cl3In

> <MOLECULAR_WEIGHT>
217.26

> <EXACT_MASS>
215.8116688

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
9.871430318393587

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloro(¹¹¹In)indigane

> <ALOGPS_LOGP>
1.69

> <JCHEM_LOGP>
1.9034999999999995

> <ALOGPS_LOGS>
-0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.408900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.74e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trichloro(¹¹¹In)indigane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09490

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Indium In-111 chloride

> <SYNONYMS>
111indium trichloride; Indium (111In) chloride; Indium chloride (111InCl3); Indium chloride In-111; Indium In 111 chloride; Indium In 111m chloride; Indium In-111m chloride; Indium-111 chloride

> <PRODUCTS>
Indiclor; Indium In 111 Chloride; Octreoscan

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