Mrv1909 03072016472D          

  4  2  0  0  0  0            999 V2000
    0.0000    0.2062    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    0.6188    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6188    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.6188    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END
> <DATABASE_ID>
DB14492

> <DATABASE_NAME>
drugbank

> <SMILES>
[K+].I[I-]I

> <INCHI_IDENTIFIER>
InChI=1S/I3.K/c1-3-2;/q-1;+1

> <INCHI_KEY>
DKNPRRRKHAEUMW-UHFFFAOYSA-N

> <FORMULA>
I3K

> <MOLECULAR_WEIGHT>
419.8117

> <EXACT_MASS>
419.67712

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
16.551010209442012

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium triiodan-2-uide

> <JCHEM_LOGP>
2.0373160639999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
40.0224

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lugol's iodine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14492

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Potassium triiodide

> <SYNONYMS>
Iodine aqueous; Lugol's iodine; Lugol's solution; Microiodide; Potassium triiodide

> <PRODUCTS>
CitraNatal 90 DHA

> <INTERNATIONAL_BRANDS>
Lugol's solution

$$$$