Mrv0541 02241215352D          

  9  6  0  0  0  0            999 V2000
   -1.2981   -1.2630    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    1.2981    0.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455    0.8421    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5613    0.8421    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2630    1.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981   -0.6665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455   -0.2806    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5613   -0.2806    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981    0.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  3   1   2   3  -1   7  -1
M  END
> <DATABASE_ID>
FDB015444

> <DATABASE_NAME>
foodb

> <SMILES>
[Ca++].[O-][I](=O)=O.[O-][I](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2

> <INCHI_KEY>
UHWJJLGTKIWIJO-UHFFFAOYSA-L

> <FORMULA>
CaI2O6

> <MOLECULAR_WEIGHT>
389.883

> <EXACT_MASS>
389.741015727

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
7.851793747534207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium diiodate

> <JCHEM_LOGP>
0.17827241766666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-32.990604431211686

> <JCHEM_POLAR_SURFACE_AREA>
57.199999999999996

> <JCHEM_REFRACTIVITY>
17.669500000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
calcium diiodate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB015444

> <GENERIC_NAME>
Iodic acid calcium salt

$$$$