Mrv0541 02231215172D          

  3  0  0  0  0  0            999 V2000
    2.8660   -0.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
FDB015404

> <DATABASE_NAME>
foodb

> <SMILES>
[Cl-].[Cl-].[Ca++]

> <INCHI_IDENTIFIER>
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2

> <INCHI_KEY>
UXVMQQNJUSDDNG-UHFFFAOYSA-L

> <FORMULA>
CaCl2

> <MOLECULAR_WEIGHT>
110.984

> <EXACT_MASS>
109.900296569

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium dichloride

> <JCHEM_LOGP>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
calcium dichloride

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015404

> <GENERIC_NAME>
Calcium chloride (CaCl2)

$$$$